ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
TL;DR: ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate (CAS 769166-88-3) is a chemical compound with molecular formula C14H16FN5O3S and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-{2-[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-ylthio]acetylamino}acet ate, ethyl N-({[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate, ethyl 2-[[2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
| Molecular Formula | C14H16FN5O3S |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 0.5694 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.0958 |
| Heavy Atoms | 24 |
| Complexity | 736.95 |
Chemical Identifiers
| CAS Number | 769166-88-3 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2F |
Product Overview
ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate (CAS 769166-88-3), with molecular formula C14H16FN5O3S and molecular weight 353.10 g/mol. IUPAC: ethyl 2-[[2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
Property Insights of ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
The XLogP value of 0.5694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate has 2 hydrogen bond donor(s) and 7 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-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The CAS number of ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 769166-88-3.
What is the molecular formula of ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular formula of ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is C14H16FN5O3S.
What is the molecular weight of ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular weight of ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 353.10 g/mol.
Where can I buy ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
You can request a quote for ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)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-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.