2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 500266-45-5) is a chemical compound with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[4-(propanoylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: AQ-088/41138099, 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[4-methyl-5-[4-(propanoylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, ({4-methyl-5-[4-(propionylamino)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, Cambridge id 7359431
| Molecular Formula | C14H16N4O3S |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 2.0073 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.0943 |
| Heavy Atoms | 22 |
| Complexity | 681.8964 |
Chemical Identifiers
| CAS Number | 500266-45-5 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)O |
Product Overview
2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 500266-45-5), with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol. IUPAC: 2-[[4-methyl-5-[4-(propanoylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 2.0073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic 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 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 500266-45-5.
What is the molecular formula of 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is C14H16N4O3S.
What is the molecular weight of 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 320.09 g/mol.
Where can I buy 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-methyl-5-(4-propionamidophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.