![ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate structure](/static/products/863/863460-27-9.png)
ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate
TL;DR: ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate (CAS 863460-27-9) is a chemical compound with molecular formula C16H15FN6O3S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetyl]amino]acetate
Also Known As: ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate, ethyl 2-(2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetyl]amino]acetate, ethyl ({[3-(p-fluorophenyl)-1,2,3,4,6-pentaaza-3H-inden-7-ylthio]methyl}carbonylamino)acetate, ethyl N-({[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]thio}acetyl)glycinate
| Molecular Formula | C16H15FN6O3S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 1.121 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.09103 |
| Heavy Atoms | 27 |
| Complexity | 962.449 |
Chemical Identifiers
| CAS Number | 863460-27-9 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F |
Product Overview
ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate (CAS 863460-27-9), with molecular formula C16H15FN6O3S and molecular weight 390.09 g/mol. IUPAC: ethyl 2-[[2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetyl]amino]acetate.
Chemical Property Profile of ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate
Property Insights of ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate
The XLogP value of 1.121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate has 1 hydrogen bond donor(s) and 8 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-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate?
The CAS number of ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate is 863460-27-9.
What is the molecular formula of ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate?
The molecular formula of ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate is C16H15FN6O3S.
What is the molecular weight of ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate?
The molecular weight of ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate is 390.09 g/mol.
Where can I buy ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate?
You can request a quote for ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-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-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.