2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
TL;DR: 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid (CAS 796067-59-9) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, {[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid, 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, (5-methyl-4-p-tolyl-4h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 2.06084 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 563.20154 |
Chemical Identifiers
| CAS Number | 796067-59-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C |
Product Overview
2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid (CAS 796067-59-9), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
Property Insights of 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
The XLogP value of 2.06084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid has 1 hydrogen bond donor(s) and 4 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-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The CAS number of 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is 796067-59-9.
What is the molecular formula of 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The molecular formula of 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is C12H13N3O2S.
What is the molecular weight of 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The molecular weight of 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is 263.07 g/mol.
Where can I buy 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
You can request a quote for 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)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-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.