![4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid structure](/static/products/7309/730947-87-2.webp)
4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
TL;DR: 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid (CAS 730947-87-2) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid, 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic Acid, 4-methyl-3-({[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid, 4-METHYL-3-(2-((4-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDO)BENZOIC ACID, 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoicacid
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 1.55252 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 683.8059 |
Chemical Identifiers
| CAS Number | 730947-87-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NN=CN2C |
Product Overview
4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid (CAS 730947-87-2), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
Property Insights of 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
The XLogP value of 1.55252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid. Following Lipinski's Rule of Five, 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}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-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
The CAS number of 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid is 730947-87-2.
What is the molecular formula of 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
The molecular formula of 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid is C13H14N4O3S.
What is the molecular weight of 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
The molecular weight of 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid is 306.08 g/mol.
Where can I buy 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
You can request a quote for 4-methyl-3-{2-[(4-methyl-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 4-methyl-3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-{2-[(4-methyl-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.