![4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid structure](/static/products/6635/6635-12-7.webp)
4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid
TL;DR: 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid (CAS 6635-12-7) is a chemical compound with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid
Also Known As: 4-{[(3-phenyl-5-sulfanyl-4h-1,2,4-triazol-4-yl)imino]methyl}benzoic acid, 4-{[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid, (E)-4-(((3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid, 4-[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic Acid, 4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid
| Molecular Formula | C16H12N4O2S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.18809 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.06808 |
| Heavy Atoms | 23 |
| Complexity | 911.25824 |
Chemical Identifiers
| CAS Number | 6635-12-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(=O)O |
Product Overview
4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid (CAS 6635-12-7), with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol. IUPAC: 4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid.
Chemical Property Profile of 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid
Property Insights of 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid
The XLogP value of 3.18809 indicates that 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid has 2 hydrogen bond donor(s) and 4 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-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid?
The CAS number of 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid is 6635-12-7.
What is the molecular formula of 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid?
The molecular formula of 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid is C16H12N4O2S.
What is the molecular weight of 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid?
The molecular weight of 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid is 324.07 g/mol.
Where can I buy 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid?
You can request a quote for 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{(E)-[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.