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Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate
TL;DR: Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 483285-05-8) 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.
ethyl 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: BAS 02617565, ethyl 2-((4-methyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate, (4-Methyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester, ethyl {[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C14H17N3O2S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.44572 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.10416 |
| Heavy Atoms | 20 |
| Complexity | 592.96655 |
Chemical Identifiers
| CAS Number | 483285-05-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C |
Product Overview
Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 483285-05-8), with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol. IUPAC: ethyl 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate
Property Insights of Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 2.44572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate. With a topological polar surface area (TPSA) of 57.01 Ų, Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate 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 Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate is 483285-05-8.
What is the molecular formula of Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate is C14H17N3O2S.
What is the molecular weight of Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate is 291.10 g/mol.
Where can I buy Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.