![Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate structure](/static/products/863/863460-64-4.png)
Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
TL;DR: Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate (CAS 863460-64-4) is a chemical compound with molecular formula C16H14FN5O3S and molecular weight 375.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
Also Known As: ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate, ethyl 4-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate, F0682-0894, ethyl 4-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-3-oxobutanoate
| Molecular Formula | C16H14FN5O3S |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 1.964 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.08014 |
| Heavy Atoms | 26 |
| Complexity | 944.71313 |
Chemical Identifiers
| CAS Number | 863460-64-4 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F |
Product Overview
Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate (CAS 863460-64-4), with molecular formula C16H14FN5O3S and molecular weight 375.08 g/mol. IUPAC: ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
Property Insights of Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate
The XLogP value of 1.964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate has 0 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 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
The CAS number of Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate is 863460-64-4.
What is the molecular formula of Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
The molecular formula of Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate is C16H14FN5O3S.
What is the molecular weight of Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
The molecular weight of Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate is 375.08 g/mol.
Where can I buy Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
You can request a quote for Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.