4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide
TL;DR: 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide (CAS 893765-30-5) is a chemical compound with molecular formula C16H16N4O4S2 and molecular weight 392.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide
Also Known As: A4091/0174409, 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide, 4-[3-(3,4-DIMETHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]-1-BENZENESULFONAMIDE, 4-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-[3-(3,4-dimethoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzenesulfonamide
| Molecular Formula | C16H16N4O4S2 |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 2.26149 |
| Topological Polar Surface Area | 112.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0613 |
| Heavy Atoms | 26 |
| Complexity | 1102.0236 |
Chemical Identifiers
| CAS Number | 893765-30-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N)OC |
Product Overview
4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide (CAS 893765-30-5), with molecular formula C16H16N4O4S2 and molecular weight 392.06 g/mol. IUPAC: 4-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide.
Chemical Property Profile of 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide
Property Insights of 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide
The XLogP value of 2.26149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide. The TPSA of 112.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide 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 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
The CAS number of 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide is 893765-30-5.
What is the molecular formula of 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
The molecular formula of 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide is C16H16N4O4S2.
What is the molecular weight of 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
The molecular weight of 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide is 392.06 g/mol.
Where can I buy 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
You can request a quote for 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.