RefChem:309812
TL;DR: RefChem:309812 (CAS 105241-79-0) is a chemical compound with molecular formula C16H12ClN5OS and molecular weight 357.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene-4-carboxamide
Also Known As: 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-carboxamide, 4-(2-chlorophenyl)-9-methyl-, 4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-carboxamide, RefChem:309812
| Molecular Formula | C16H12ClN5OS |
|---|---|
| Molecular Weight | 357.05 g/mol |
| LogP | 2.74052 |
| Topological Polar Surface Area | 86.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.0451 |
| Heavy Atoms | 24 |
| Complexity | 1003.819 |
Chemical Identifiers
| CAS Number | 105241-79-0 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)C(=O)N)C(=NC2)C4=CC=CC=C4Cl |
Product Overview
RefChem:309812 (CAS 105241-79-0), with molecular formula C16H12ClN5OS and molecular weight 357.05 g/mol. IUPAC: 7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene-4-carboxamide.
Chemical Property Profile of RefChem:309812
Property Insights of RefChem:309812
The XLogP value of 2.74052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:309812. The TPSA of 86.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:309812. Following Lipinski's Rule of Five, RefChem:309812 has 1 hydrogen bond donor(s) and 5 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 RefChem:309812?
The CAS number of RefChem:309812 is 105241-79-0.
What is the molecular formula of RefChem:309812?
The molecular formula of RefChem:309812 is C16H12ClN5OS.
What is the molecular weight of RefChem:309812?
The molecular weight of RefChem:309812 is 357.05 g/mol.
Where can I buy RefChem:309812?
You can request a quote for RefChem:309812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309812?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.