BAS 12974939
TL;DR: BAS 12974939 (CAS 587873-67-4) is a chemical compound with molecular formula C17H13ClN4O2S and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12974939, 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/41329085, 4-[3-(4-chlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]-1,2-dimet hoxybenzene
| Molecular Formula | C17H13ClN4O2S |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 4.1904 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.04477 |
| Heavy Atoms | 25 |
| Complexity | 1042.6765 |
Chemical Identifiers
| CAS Number | 587873-67-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC=C(C=C4)Cl)OC |
Product Overview
BAS 12974939 (CAS 587873-67-4), with molecular formula C17H13ClN4O2S and molecular weight 372.04 g/mol. IUPAC: 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12974939
Property Insights of BAS 12974939
The XLogP value of 4.1904 indicates that BAS 12974939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12974939. Following Lipinski's Rule of Five, BAS 12974939 has 0 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 BAS 12974939?
The CAS number of BAS 12974939 is 587873-67-4.
What is the molecular formula of BAS 12974939?
The molecular formula of BAS 12974939 is C17H13ClN4O2S.
What is the molecular weight of BAS 12974939?
The molecular weight of BAS 12974939 is 372.04 g/mol.
Where can I buy BAS 12974939?
You can request a quote for BAS 12974939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12974939?
Yes, KEHONG BIO provides custom synthesis services for BAS 12974939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.