![4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid structure](/static/products/851/851300-84-0.png)
4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid
TL;DR: 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid (CAS 851300-84-0) is a chemical compound with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoic acid
Also Known As: 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid, 4-[[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoic Acid, 4-{[2-(4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]methyl}benzoi c acid
| Molecular Formula | C18H17N5O3S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 1.9838 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.10522 |
| Heavy Atoms | 27 |
| Complexity | 941.39075 |
Chemical Identifiers
| CAS Number | 851300-84-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC=NC=C3 |
Product Overview
4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid (CAS 851300-84-0), with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol. IUPAC: 4-[[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoic acid.
Chemical Property Profile of 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid
Property Insights of 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid
The XLogP value of 1.9838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]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 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid?
The CAS number of 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid is 851300-84-0.
What is the molecular formula of 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid?
The molecular formula of 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid is C18H17N5O3S.
What is the molecular weight of 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid?
The molecular weight of 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid is 383.11 g/mol.
Where can I buy 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid?
You can request a quote for 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)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-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.