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. 652-37-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 652-37-9
Chemical Structure| 652-37-9
Structure of 652-37-9 * 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 [ 652-37-9 ]

Related Doc. of [ 652-37-9 ]

Alternatived Products of [ 652-37-9 ]
Product Citations

Product Details of [ 652-37-9 ]

CAS No. :652-37-9 MDL No. :MFCD00022832
Formula : C9H10N4O4 Boiling Point : -
Linear Structure Formula :- InChI Key :HCYFGRCYSCXKNQ-UHFFFAOYSA-N
M.W : 238.20 Pubchem ID :69550
Synonyms :
Theophylline-7-acetic Acid; Theophyllineacetic Acid; Carboxymethyltheophylline
Chemical Name :2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid

Calculated chemistry of [ 652-37-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 58.62
TPSA : 99.12 ?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) : -8.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.03
Log Po/w (XLOGP3) : -0.76
Log Po/w (WLOGP) : -1.48
Log Po/w (MLOGP) : -0.72
Log Po/w (SILICOS-IT) : -1.21
Consensus Log Po/w : -0.63

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.1
Solubility : 19.0 mg/ml ; 0.0798 mol/l
Class : Very soluble
Log S (Ali) : -0.84
Solubility : 34.1 mg/ml ; 0.143 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.07
Solubility : 205.0 mg/ml ; 0.861 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.26

Safety of [ 652-37-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 652-37-9 ]

* 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 [ 652-37-9 ]

[ 652-37-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 652-37-9 ]
  • [ 3575-32-4 ]
  • [ 1243259-28-0 ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 2h; To a solution of acid in DMF were added HATU5 DIEA, and aniline in that order. The reaction mixture was stirred for 2hr at room temperature. [00316] After the reaction was complete (LC-MS and TLC)5 the compound was purified by prep-HPLC (250mg). Compound 24 was characterized by 1H NMR5 LC-MS and HPLC. 1H NMR (CDC13), delta: 9.25 (s, IH), 7.77 (s5 IH), 7.15 (t, J=8.14 Hz5 IH)5 7.05 (s, IH)5 6.74-6.80 (m, IH)5 6.46-6.53 (m5 IH), 4.95 (s5 2H)5 3.61 (s, 3H), 3.46 (s, 3H), 2.93 (s, 6H)5 1.59 (s, 3H). LC-MS5 (M+l), 357. HPLC (>;95%, retention time, 5.79 min).
Recommend Products
Same Skeleton Products
Historical Records
; ;