A4091/0174413
TL;DR: A4091/0174413 (CAS 893765-33-8) is a chemical compound with molecular formula C15H12N4O4S2 and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide
Also Known As: A4091/0174413, 4-(3-(benzo[d][1,3]dioxol-5-yl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide, 4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-[3-(1,3-BENZODIOXOL-5-YL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]-1-BENZENESULFONAMIDE, 4-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzenesulfonamide
| Molecular Formula | C15H12N4O4S2 |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 1.97299 |
| Topological Polar Surface Area | 112.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.03 |
| Heavy Atoms | 25 |
| Complexity | 1117.1782 |
Chemical Identifiers
| CAS Number | 893765-33-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)S(=O)(=O)N |
Product Overview
A4091/0174413 (CAS 893765-33-8), with molecular formula C15H12N4O4S2 and molecular weight 376.03 g/mol. IUPAC: 4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide.
Chemical Property Profile of A4091/0174413
Property Insights of A4091/0174413
The XLogP value of 1.97299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4091/0174413. The TPSA of 112.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A4091/0174413. Following Lipinski's Rule of Five, A4091/0174413 has 2 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 A4091/0174413?
The CAS number of A4091/0174413 is 893765-33-8.
What is the molecular formula of A4091/0174413?
The molecular formula of A4091/0174413 is C15H12N4O4S2.
What is the molecular weight of A4091/0174413?
The molecular weight of A4091/0174413 is 376.03 g/mol.
Where can I buy A4091/0174413?
You can request a quote for A4091/0174413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4091/0174413?
Yes, KEHONG BIO provides custom synthesis services for A4091/0174413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.