![Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate structure](/static/products/7385/738593-10-7.webp)
Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate
TL;DR: Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate (CAS 738593-10-7) is a chemical compound with molecular formula C15H20N4O2S and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate, Methyl 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C15H20N4O2S |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 2.2215 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.1307 |
| Heavy Atoms | 22 |
| Complexity | 659.17224 |
Chemical Identifiers
| CAS Number | 738593-10-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)OC |
Product Overview
Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate (CAS 738593-10-7), with molecular formula C15H20N4O2S and molecular weight 320.13 g/mol. IUPAC: methyl 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate
Property Insights of Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate
The XLogP value of 2.2215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate. Following Lipinski's Rule of Five, Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate has 1 hydrogen bond donor(s) and 6 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 Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate?
The CAS number of Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate is 738593-10-7.
What is the molecular formula of Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate?
The molecular formula of Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate is C15H20N4O2S.
What is the molecular weight of Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate?
The molecular weight of Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate is 320.13 g/mol.
Where can I buy Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate?
You can request a quote for Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-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 Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{4-amino-5-[4-(tert-butyl)phenyl]-1,2,4-triazol-3-ylthio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.