![2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid structure](/static/products/392/392671-71-5.png)
2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
TL;DR: 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid (CAS 392671-71-5) is a chemical compound with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid, 2-{2-[4-(2,4-Dimethyl-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-benzoic acid, 2-[[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid, 2-(2-[4-(2,4-DIMETHYL-PHENYL)-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL]-ACETYLAMINO)-BENZOIC ACID, 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoicacid
| Molecular Formula | C24H21N5O3S |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 4.37514 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.1365 |
| Heavy Atoms | 33 |
| Complexity | 1320.9415 |
Chemical Identifiers
| CAS Number | 392671-71-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)O)C4=CN=CC=C4)C |
Product Overview
2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid (CAS 392671-71-5), with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol. IUPAC: 2-[[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Property Insights of 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
The XLogP value of 4.37514 indicates that 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid. Following Lipinski's Rule of Five, 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid 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 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid?
The CAS number of 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid is 392671-71-5.
What is the molecular formula of 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid?
The molecular formula of 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid is C24H21N5O3S.
What is the molecular weight of 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid?
The molecular weight of 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid is 459.14 g/mol.
Where can I buy 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid?
You can request a quote for 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.