Ethyl 4-cyclobutyl-4-oxo-2-butanoate
TL;DR: Ethyl 4-cyclobutyl-4-oxo-2-butanoate (CAS 54966-51-7) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyclobutyl-4-oxobut-2-ynoate
Also Known As: Ethyl 4-cyclobutyl-4-oxo-2-butanoate, ethyl 4-cyclobutyl-4-oxobut-2-ynoate, 4-Cyclobutyl-4-oxo-2-butynoic acid ethyl ester, Ethyl 4-cyclobutyl-4-oxo-2-butynoate #, 2-Butynoic acid, 4-cyclobutyl-4-oxo-, ethyl ester
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 54966-51-7 |
|---|---|
| SMILES | CCOC(=O)C#CC(=O)C1CCC1 |
| InChIKey | FCDUKTAAWQRJQG-UHFFFAOYSA-N |
Product Overview
Ethyl 4-cyclobutyl-4-oxo-2-butanoate (CAS 54966-51-7), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: ethyl 4-cyclobutyl-4-oxobut-2-ynoate.
Chemical Property Profile of Ethyl 4-cyclobutyl-4-oxo-2-butanoate
Property Insights of Ethyl 4-cyclobutyl-4-oxo-2-butanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-cyclobutyl-4-oxo-2-butanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-cyclobutyl-4-oxo-2-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-cyclobutyl-4-oxo-2-butanoate has 0 hydrogen bond donor(s) and 3 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-cyclobutyl-4-oxo-2-butanoate?
The CAS number of Ethyl 4-cyclobutyl-4-oxo-2-butanoate is 54966-51-7.
What is the molecular formula of Ethyl 4-cyclobutyl-4-oxo-2-butanoate?
The molecular formula of Ethyl 4-cyclobutyl-4-oxo-2-butanoate is C10H12O3.
What is the molecular weight of Ethyl 4-cyclobutyl-4-oxo-2-butanoate?
The molecular weight of Ethyl 4-cyclobutyl-4-oxo-2-butanoate is 180.08 g/mol.
Where can I buy Ethyl 4-cyclobutyl-4-oxo-2-butanoate?
You can request a quote for Ethyl 4-cyclobutyl-4-oxo-2-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-cyclobutyl-4-oxo-2-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyclobutyl-4-oxo-2-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.