A4089/0174322
TL;DR: A4089/0174322 (CAS 893772-15-1) is a chemical compound with molecular formula C15H13ClN4O3S2 and molecular weight 396.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide
Also Known As: A4089/0174322, 4-(3-(5-chloro-2-methoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide, 4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-[3-(5-CHLORO-2-METHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]-1-BENZENESULFONAMIDE
| Molecular Formula | C15H13ClN4O3S2 |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | 2.90629 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.01175 |
| Heavy Atoms | 25 |
| Complexity | 1088.7095 |
Chemical Identifiers
| CAS Number | 893772-15-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
A4089/0174322 (CAS 893772-15-1), with molecular formula C15H13ClN4O3S2 and molecular weight 396.01 g/mol. IUPAC: 4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide.
Chemical Property Profile of A4089/0174322
Property Insights of A4089/0174322
The XLogP value of 2.90629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4089/0174322. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A4089/0174322. Following Lipinski's Rule of Five, A4089/0174322 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 A4089/0174322?
The CAS number of A4089/0174322 is 893772-15-1.
What is the molecular formula of A4089/0174322?
The molecular formula of A4089/0174322 is C15H13ClN4O3S2.
What is the molecular weight of A4089/0174322?
The molecular weight of A4089/0174322 is 396.01 g/mol.
Where can I buy A4089/0174322?
You can request a quote for A4089/0174322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4089/0174322?
Yes, KEHONG BIO provides custom synthesis services for A4089/0174322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.