Ethyl 4-oxo-4-phenylbutyrate
TL;DR: Ethyl 4-oxo-4-phenylbutyrate (CAS 6270-17-3) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-4-phenylbutanoate
Also Known As: Ethyl 4-oxo-4-phenylbutanoate, Ethyl 4-oxo-4-phenylbutyrate, Ethyl4-oxo-4-phenylbutyrate, Ethyl 4-phenyl-4-oxobutyrate, ethyl-4-oxo-4-phenylbutanoate
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 6270-17-3 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C1=CC=CC=C1 |
| InChIKey | BRUOEHVDTAORQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-oxo-4-phenylbutyrate (CAS 6270-17-3), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: ethyl 4-oxo-4-phenylbutanoate.
Chemical Property Profile of Ethyl 4-oxo-4-phenylbutyrate
Property Insights of Ethyl 4-oxo-4-phenylbutyrate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-4-phenylbutyrate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-oxo-4-phenylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxo-4-phenylbutyrate 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-oxo-4-phenylbutyrate?
The CAS number of Ethyl 4-oxo-4-phenylbutyrate is 6270-17-3.
What is the molecular formula of Ethyl 4-oxo-4-phenylbutyrate?
The molecular formula of Ethyl 4-oxo-4-phenylbutyrate is C12H14O3.
What is the molecular weight of Ethyl 4-oxo-4-phenylbutyrate?
The molecular weight of Ethyl 4-oxo-4-phenylbutyrate is 206.09 g/mol.
Where can I buy Ethyl 4-oxo-4-phenylbutyrate?
You can request a quote for Ethyl 4-oxo-4-phenylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-4-phenylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-4-phenylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.