4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide
TL;DR: 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide (CAS 893772-20-8) is a chemical compound with molecular formula C16H16N4O3S2 and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide
Also Known As: A4089/0174323, 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide, 4-[3-(4-methoxybenzyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-[3-(4-methoxybenzyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide
| Molecular Formula | C16H16N4O3S2 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 2.17669 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.06638 |
| Heavy Atoms | 25 |
| Complexity | 1036.2339 |
Chemical Identifiers
| CAS Number | 893772-20-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide (CAS 893772-20-8), with molecular formula C16H16N4O3S2 and molecular weight 376.07 g/mol. IUPAC: 4-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide.
Chemical Property Profile of 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide
Property Insights of 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide
The XLogP value of 2.17669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide 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 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
The CAS number of 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide is 893772-20-8.
What is the molecular formula of 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
The molecular formula of 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide is C16H16N4O3S2.
What is the molecular weight of 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
The molecular weight of 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide is 376.07 g/mol.
Where can I buy 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
You can request a quote for 4-(3-mercapto-5-(4-methoxybenzyl)-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-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-mercapto-5-(4-methoxybenzyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.