![Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate structure](/static/products/5869/586993-57-9.webp)
Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate
TL;DR: Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 586993-57-9) is a chemical compound with molecular formula C13H15FN4O2S and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate, isopropyl 2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, propan-2-yl {[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, propan-2-yl 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C13H15FN4O2S |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 1.8417 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.08997 |
| Heavy Atoms | 21 |
| Complexity | 627.60156 |
Chemical Identifiers
| CAS Number | 586993-57-9 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)F |
Product Overview
Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 586993-57-9), with molecular formula C13H15FN4O2S and molecular weight 310.09 g/mol. IUPAC: propan-2-yl 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate
Property Insights of Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 1.8417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate. Following Lipinski's Rule of Five, Methylethyl 2-[4-amino-5-(4-fluorophenyl)-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 Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate is 586993-57-9.
What is the molecular formula of Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate is C13H15FN4O2S.
What is the molecular weight of Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate is 310.09 g/mol.
Where can I buy Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Methylethyl 2-[4-amino-5-(4-fluorophenyl)-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 Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 2-[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.