![Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate structure](/static/products/893/893911-55-2.png)
Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate
TL;DR: Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate (CAS 893911-55-2) is a chemical compound with molecular formula C17H15FN4O3S and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate
Also Known As: F1874-0577, ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate, ethyl 4-((1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-3-oxobutanoate, ethyl 4-{[1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-3-oxobutanoate, ethyl 4-[1-(p-fluorophenyl)-1,2,5,7-tetraaza-1H-inden-4-ylthio]acetoacetate
| Molecular Formula | C17H15FN4O3S |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 2.569 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.0849 |
| Heavy Atoms | 26 |
| Complexity | 942.83594 |
Chemical Identifiers
| CAS Number | 893911-55-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F |
Product Overview
Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate (CAS 893911-55-2), with molecular formula C17H15FN4O3S and molecular weight 374.08 g/mol. IUPAC: ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate
Property Insights of Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate
The XLogP value of 2.569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate has 0 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 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate?
The CAS number of Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate is 893911-55-2.
What is the molecular formula of Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate?
The molecular formula of Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate is C17H15FN4O3S.
What is the molecular weight of Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate?
The molecular weight of Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate is 374.08 g/mol.
Where can I buy Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate?
You can request a quote for Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-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-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.