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. 1445-69-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1445-69-8
Chemical Structure| 1445-69-8
Structure of 1445-69-8 * 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 [ 1445-69-8 ]

Related Doc. of [ 1445-69-8 ]

Alternatived Products of [ 1445-69-8 ]
Product Citations

Product Details of [ 1445-69-8 ]

CAS No. :1445-69-8 MDL No. :MFCD00006888
Formula : C8H6N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :KGLPWQKSKUVKMJ-UHFFFAOYSA-N
M.W : 162.15 Pubchem ID :219401
Synonyms :

Calculated chemistry of [ 1445-69-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 45.19
TPSA : 65.72 ?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) : -7.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.87
Log Po/w (XLOGP3) : 0.11
Log Po/w (WLOGP) : 0.22
Log Po/w (MLOGP) : 1.41
Log Po/w (SILICOS-IT) : 2.22
Consensus Log Po/w : 0.97

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.53
Solubility : 4.77 mg/ml ; 0.0294 mol/l
Class : Very soluble
Log S (Ali) : -1.05
Solubility : 14.6 mg/ml ; 0.0901 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.13
Solubility : 0.12 mg/ml ; 0.000738 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.88

Safety of [ 1445-69-8 ]

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

Application In Synthesis of [ 1445-69-8 ]

* 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 [ 1445-69-8 ]

[ 1445-69-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 1445-69-8 ]
  • [ 54589-54-7 ]
  • ethyl 3-(((4-oxo-3,4-dihydrophthalazin-1-yl)oxyl)methyl)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
30% Phthalhydrazide (1b) (10g, 61.7 mmol) was dissolved in dried N,N-dimethylformamide (100 mL) in a round-bottom flask. Sodium hydride (1.63g, 67.9 mmol) was added at 0C, and then stirred for half an hour. Ethyl 3-chloromethylbenzoate (1c, purchased from Shanghai Shaoyuan Co. Ltd.) (13.49g, 67.9 mmol) dissolved in N,N-dimethylformamide (20 mL) solution was added slowly dropwise at room temperature and reacted for 24 hours, and then ethyl acetate was added. The reaction solution was successively washed with 50 mL saturated sodium bicarbonate and saturated sodium chloride solution for three times, the organic layer was dried and concentrated. Column chromatography was performed for the crude product (petroleum ether : ethyl acetate = 10:1) to give ethyl 3-(((4-oxo-3-1,4-dihydrophthalazin -1-yl)oxy)methyl)benzoate (1d), 6 g white solid (yield 30%). 1H NMR (600 MHz, DMSO-d6): delta 11.94 (s, 1H), 8.24 (d, 1H, J = 7.50 Hz), 7.97-7.95 (m, 1H),7.93-7.87 (m, 3H), 7.85-7.83 (m, 1H), 7.57-7.56 (m, 1H), 7.48-7.45 (m, 1H), 5.23 (s, 2H), 4.29-4.25 (m, 2H), 1.28-1.25 (m, 3H); ESI-MS m/z: calculated for 324.1, found 346.9 [M+Na]+.
30% Phthalhydrazide (1b) (10 g, 61.7 mmol) was dissolved in dried N,N-dimethylformamide (100 mL) in a round-bottom flask. Sodium hydride (1.63 g, 67.9 mmol) was added at 0 C., and then stirred for half an hour. Ethyl 3-chloromethylbenzoate (1c, purchased from Shanghai Shaoyuan Co. Ltd.) (13.49 g, 67.9 mmol) dissolved in N,N-dimethylformamide (20 mL) solution was added slowly dropwise at room temperature and reacted for 24 hours, and then ethyl acetate was added. The reaction solution was successively washed with 50 mL saturated sodium bicarbonate and saturated sodium chloride solution for three times, the organic layer was dried and concentrated. Column chromatography was performed for the crude product (petroleum ether:ethyl acetate=10:1) to give ethyl 3-(((4-oxo-3-1,4-dihydrophthalazin-1-yl)oxy)methyl)benzoate (1d), 6 g white solid (yield 30%). 1H NMR (600 MHz, DMSO-d6): delta 11.94 (s, 1H), 8.24 (d, 1H, J=7.50 Hz), 7.97-7.95 (m, 1H), 7.93-7.87 (m, 3H), 7.85-7.83 (m, 1H), 7.57-7.56 (m, 1H), 7.48-7.45 (m, 1H), 5.23 (s, 2H), 4.29-4.25 (m, 2H), 1.28-1.25 (m, 3H); ESI-MS m/z: calculated for 324.1. found 346.9 [M+Na]+.
  • 2
  • [ 1445-69-8 ]
  • [ 3682-14-2 ]
  • 3
  • 2-((1,3-dioxoisoindolin-2-yl)amino)acetic acid [ No CAS ]
  • [ 1445-69-8 ]
  • [ 14150-64-2 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;