2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
TL;DR: 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid (CAS 338452-91-8) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: BAS 02241240, (4-Ethyl-5-m-tolyl-4H-[1,2,4]triazol-3-yl-sulfanyl)acetic acid, 0729AE, 0730AE, 2-((4-Ethyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 338452-91-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)O)C2=CC=CC(=C2)C |
| InChIKey | DTNRMUCNAHRQKI-UHFFFAOYSA-N |
Product Overview
2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid (CAS 338452-91-8), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
Property Insights of 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid has 1 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-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The CAS number of 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is 338452-91-8.
What is the molecular formula of 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The molecular formula of 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is C13H15N3O2S.
What is the molecular weight of 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The molecular weight of 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is 277.09 g/mol.
Where can I buy 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
You can request a quote for 2-((4-ethyl-5-(3-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-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-ethyl-5-(3-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.