成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 111-16-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 111-16-0
Chemical Structure| 111-16-0
Structure of 111-16-0 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 111-16-0 ]

Related Doc. of [ 111-16-0 ]

Alternatived Products of [ 111-16-0 ]
Product Citations

Product Details of [ 111-16-0 ]

CAS No. :111-16-0 MDL No. :MFCD00004425
Formula : C7H12O4 Boiling Point : No data available
Linear Structure Formula :(CH2)5(COOH)2 InChI Key :WLJVNTCWHIRURA-UHFFFAOYSA-N
M.W : 160.17 Pubchem ID :385
Synonyms :
Chemical Name :Heptanedioic acid

Calculated chemistry of [ 111-16-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.71
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 39.31
TPSA : 74.6 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.84 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.94
Log Po/w (XLOGP3) : 0.61
Log Po/w (WLOGP) : 1.11
Log Po/w (MLOGP) : 0.6
Log Po/w (SILICOS-IT) : 0.47
Consensus Log Po/w : 0.75

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.82
Solubility : 24.2 mg/ml ; 0.151 mol/l
Class : Very soluble
Log S (Ali) : -1.75
Solubility : 2.84 mg/ml ; 0.0178 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.64
Solubility : 36.7 mg/ml ; 0.229 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.37

Safety of [ 111-16-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 111-16-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 111-16-0 ]

[ 111-16-0 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 111-16-0 ]
  • [ 1732-08-7 ]
  • [ 20291-40-1 ]
YieldReaction ConditionsOperation in experiment
68% With hydrogenchloride; In methanol; ethyl acetate; A. Methyl hydrogen pimelate (7) A mixture of pimelic acid (15) (75.1 g, 0.47 mol), dimethyl pimelate (50.1 g, 0.27 mol), hydrochloric acid (8 mL, 0.1 mol), methanol (25 mL, 0.62 mol) and di-n-butyl ether (20 mL) was heated (oil bath: 100-110 C.) under N2 overnight. After cooling to room temperature, EtOAc (200 mL) was added and the mixture was washed with water (2*100 mL), saturated NaCl (2*100 mL) and dried (Na2 SO4). The crude oil was fractionally distilled (vigreux, 125-130 C., 0.7 mm Hg) to provide a clear oil (55.5 g, 68%, purity?95%. Based on NMR analysis, the clear oil was determined to be methyl hydrogen pimelate (7) (1 H NMR)): TLC (SiO2, MeOH/EtOAc/hexane (2:8:15, v/v)) Rf =0.25-0.34; 1 H NMR (300 MHz, CDCl3) δ3.67 (s, 3 H), 2.40-2.28 (m, 4 H), 1.72-1.58 (m, 4 H), 1.45-1.32 (m, 2 H).
  • 2
  • [ 111-16-0 ]
  • [ 1454-85-9 ]
  • [ 26719-32-4 ]
  • 3
  • [ 6066-82-6 ]
  • [ 111-16-0 ]
  • [ 74648-14-9 ]
YieldReaction ConditionsOperation in experiment
71% With dicyclohexyl-carbodiimide; In tetrahydrofuran; at 20℃; for 18.0h; [00350] Heptanedioic acid (1.6 g, 9.99 mmol) was dissolved in tetrahydrofuran (THF) (100 mL), and l-hydroxypyrrolidine-2,5-dione (2.299 g, 19.98 mmol) was then added, followed by the addition of DCC (4.12 g, 19.98 mmol). The mixture was stirred at room temperature for 18 hours until HPLC analysis indicated the completion of the reaction. The solid was removed by filtration through a celite pad, and washed with THF (3 x 2 mL). The combined filtrate was concentrated and purified by flash chromatography to yield bis(2,5-dioxopyrrolidin-l-yl) heptanedioate (ER-001236140) as a white solid (2.5 g, 71% yield). 1HNMR (400 MHz) δ ppm 2.83 (s, 8H), 2.64 (t, J = 7.6 Hz, 4H), 1.80 (dt, J= 7.6 Hz, 4H), 1.59-1.51 (m, 2H). LCMS (M+H)=355.2.
  • 4
  • [ 111-16-0 ]
  • [ 628-76-2 ]
  • [ 4224-62-8 ]
  • 5
  • [ 67-56-1 ]
  • [ 111-16-0 ]
  • [ 1732-08-7 ]
  • [ 20291-40-1 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 111-16-0 ]

Aliphatic Chain Hydrocarbons

Chemical Structure| 505-95-3

[ 505-95-3 ]

12-Hydroxydodecanoic acid

Similarity: 1.00

Chemical Structure| 1679-53-4

[ 1679-53-4 ]

10-Hydroxydecanoic acid

Similarity: 1.00

Chemical Structure| 2424-92-2

[ 2424-92-2 ]

Icosanedioic acid

Similarity: 1.00

Chemical Structure| 3788-56-5

[ 3788-56-5 ]

9-Hydroxynonanoic acid

Similarity: 1.00

Chemical Structure| 57-11-4

[ 57-11-4 ]

Octadecanoic acid

Similarity: 1.00

Carboxylic Acids

Chemical Structure| 505-95-3

[ 505-95-3 ]

12-Hydroxydodecanoic acid

Similarity: 1.00

Chemical Structure| 1679-53-4

[ 1679-53-4 ]

10-Hydroxydecanoic acid

Similarity: 1.00

Chemical Structure| 2424-92-2

[ 2424-92-2 ]

Icosanedioic acid

Similarity: 1.00

Chemical Structure| 3788-56-5

[ 3788-56-5 ]

9-Hydroxynonanoic acid

Similarity: 1.00

Chemical Structure| 638-53-9

[ 638-53-9 ]

Tridecanoic acid

Similarity: 1.00

; ;