![2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester structure](/static/products/895/895047-39-9.png)
2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
TL;DR: 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester (CAS 895047-39-9) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: 2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester, methyl 2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl {[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio}acetate, 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester, methyl 2-((4-methyl-5-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C14H17N3O2S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 1.8654 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.10416 |
| Heavy Atoms | 20 |
| Complexity | 569.0529 |
Chemical Identifiers
| CAS Number | 895047-39-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CCC2=CC=CC=C2 |
Product Overview
2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester (CAS 895047-39-9), with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol. IUPAC: methyl 2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
Property Insights of 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
The XLogP value of 1.8654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester. With a topological polar surface area (TPSA) of 57.01 Ų, 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester has 0 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-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester?
The CAS number of 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester is 895047-39-9.
What is the molecular formula of 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester?
The molecular formula of 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester is C14H17N3O2S.
What is the molecular weight of 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester?
The molecular weight of 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester is 291.10 g/mol.
Where can I buy 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester?
You can request a quote for 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester 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-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.