![4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid structure](/static/products/500/500197-10-4.png)
4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid
TL;DR: 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid (CAS 500197-10-4) is a chemical compound with molecular formula C15H11N5O2S and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid
Also Known As: 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid, (E)-4-(((3-mercapto-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid, 4-((E)-{[3-(4-pyridinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzoic acid, 4-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic Acid, 4-[(E)-{[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
| Molecular Formula | C15H11N5O2S |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 2.58309 |
| Topological Polar Surface Area | 96.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.06335 |
| Heavy Atoms | 23 |
| Complexity | 913.0452 |
Chemical Identifiers
| CAS Number | 500197-10-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/N2C(=NNC2=S)C3=CC=NC=C3)C(=O)O |
Product Overview
4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid (CAS 500197-10-4), with molecular formula C15H11N5O2S and molecular weight 325.06 g/mol. IUPAC: 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid.
Chemical Property Profile of 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid
Property Insights of 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid
The XLogP value of 2.58309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid. The TPSA of 96.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid 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-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid?
The CAS number of 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid is 500197-10-4.
What is the molecular formula of 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid?
The molecular formula of 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid is C15H11N5O2S.
What is the molecular weight of 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid?
The molecular weight of 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid is 325.06 g/mol.
Where can I buy 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid?
You can request a quote for 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]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-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.