BAS 12972156
TL;DR: BAS 12972156 (CAS 871323-37-4) is a chemical compound with molecular formula C16H14ClN5O3S and molecular weight 391.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
Also Known As: BAS 12972156, 1-(4-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxamide, VU0509793-1, F3126-0838, 1-(4-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
| Molecular Formula | C16H14ClN5O3S |
|---|---|
| Molecular Weight | 391.05 g/mol |
| LogP | 2.12882 |
| Topological Polar Surface Area | 119.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0506 |
| Heavy Atoms | 26 |
| Complexity | 1060.2697 |
Chemical Identifiers
| CAS Number | 871323-37-4 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
BAS 12972156 (CAS 871323-37-4), with molecular formula C16H14ClN5O3S and molecular weight 391.05 g/mol. IUPAC: 1-(4-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide.
Chemical Property Profile of BAS 12972156
Property Insights of BAS 12972156
The XLogP value of 2.12882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12972156. The TPSA of 119.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12972156. Following Lipinski's Rule of Five, BAS 12972156 has 2 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 BAS 12972156?
The CAS number of BAS 12972156 is 871323-37-4.
What is the molecular formula of BAS 12972156?
The molecular formula of BAS 12972156 is C16H14ClN5O3S.
What is the molecular weight of BAS 12972156?
The molecular weight of BAS 12972156 is 391.05 g/mol.
Where can I buy BAS 12972156?
You can request a quote for BAS 12972156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12972156?
Yes, KEHONG BIO provides custom synthesis services for BAS 12972156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.