BAS 12972482
TL;DR: BAS 12972482 (CAS 871323-59-0) is a chemical compound with molecular formula C19H17N5OS and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1-phenyltriazole-4-carboxamide
Also Known As: BAS 12972482, VU0509809-1, F3126-1164, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1-phenyltriazole-4-carboxamide
| Molecular Formula | C19H17N5OS |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 3.64 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.1154 |
| Heavy Atoms | 26 |
| Complexity | 1012.72174 |
Chemical Identifiers
| CAS Number | 871323-59-0 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N |
Product Overview
BAS 12972482 (CAS 871323-59-0), with molecular formula C19H17N5OS and molecular weight 363.12 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1-phenyltriazole-4-carboxamide.
Chemical Property Profile of BAS 12972482
Property Insights of BAS 12972482
The XLogP value of 3.64 indicates that BAS 12972482 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12972482. Following Lipinski's Rule of Five, BAS 12972482 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 BAS 12972482?
The CAS number of BAS 12972482 is 871323-59-0.
What is the molecular formula of BAS 12972482?
The molecular formula of BAS 12972482 is C19H17N5OS.
What is the molecular weight of BAS 12972482?
The molecular weight of BAS 12972482 is 363.12 g/mol.
Where can I buy BAS 12972482?
You can request a quote for BAS 12972482 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12972482?
Yes, KEHONG BIO provides custom synthesis services for BAS 12972482 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.