Ethyl 4-cyano-3-oxobutanoate
TL;DR: Ethyl 4-cyano-3-oxobutanoate (CAS 1715-68-0) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-oxobutanoate
Also Known As: Ethyl 4-cyano-3-oxobutanoate, Ethyl 4-cyanoacetoacetate, ethyl cyanoacetoacetate, Ethyl 4-cyano-3-oxo-butanoate, 4-Cyanoacetoacetic acid ethyl ester
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | 0.42238 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 192.35258 |
Chemical Identifiers
| CAS Number | 1715-68-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CC#N |
Product Overview
Ethyl 4-cyano-3-oxobutanoate (CAS 1715-68-0), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: ethyl 4-cyano-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-cyano-3-oxobutanoate
Property Insights of Ethyl 4-cyano-3-oxobutanoate
The XLogP value of 0.42238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-cyano-3-oxobutanoate. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyano-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-cyano-3-oxobutanoate has 0 hydrogen bond donor(s) and 4 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-cyano-3-oxobutanoate?
The CAS number of Ethyl 4-cyano-3-oxobutanoate is 1715-68-0.
What is the molecular formula of Ethyl 4-cyano-3-oxobutanoate?
The molecular formula of Ethyl 4-cyano-3-oxobutanoate is C7H9NO3.
What is the molecular weight of Ethyl 4-cyano-3-oxobutanoate?
The molecular weight of Ethyl 4-cyano-3-oxobutanoate is 155.06 g/mol.
Where can I buy Ethyl 4-cyano-3-oxobutanoate?
You can request a quote for Ethyl 4-cyano-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-cyano-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyano-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.