6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-
TL;DR: 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl- (CAS 105219-71-4) is a chemical compound with molecular formula C20H20ClN5O2S and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-N-(2-hydroxyethyl)propanamide
Also Known As: 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-, 3-[7-(2-Chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-N-(2-hydroxyethyl)propanamide, 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide, 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide,4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl, RefChem:309818
| Molecular Formula | C20H20ClN5O2S |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 2.68272 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.10263 |
| Heavy Atoms | 29 |
| Complexity | 1088.4846 |
Chemical Identifiers
| CAS Number | 105219-71-4 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)NCCO)C(=NC2)C4=CC=CC=C4Cl |
Product Overview
6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl- (CAS 105219-71-4), with molecular formula C20H20ClN5O2S and molecular weight 429.10 g/mol. IUPAC: 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-N-(2-hydroxyethyl)propanamide.
Chemical Property Profile of 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-
Property Insights of 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-
The XLogP value of 2.68272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-. Following Lipinski's Rule of Five, 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-?
The CAS number of 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl- is 105219-71-4.
What is the molecular formula of 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-?
The molecular formula of 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl- is C20H20ClN5O2S.
What is the molecular weight of 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-?
The molecular weight of 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl- is 429.10 g/mol.
Where can I buy 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-?
You can request a quote for 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.