Ethyl 3-oxo-4-phenylhexanoate
TL;DR: Ethyl 3-oxo-4-phenylhexanoate (CAS 359828-75-4) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-4-phenylhexanoate
Also Known As: ethyl 3-oxo-4-phenylhexanoate, ethyl3-oxo-4-phenylhexanoate
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 359828-75-4 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)CC(=O)OCC |
| InChIKey | XSDCHQDUIUELCZ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-oxo-4-phenylhexanoate (CAS 359828-75-4), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: ethyl 3-oxo-4-phenylhexanoate.
Chemical Property Profile of Ethyl 3-oxo-4-phenylhexanoate
Property Insights of Ethyl 3-oxo-4-phenylhexanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-4-phenylhexanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-oxo-4-phenylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-4-phenylhexanoate 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 3-oxo-4-phenylhexanoate?
The CAS number of Ethyl 3-oxo-4-phenylhexanoate is 359828-75-4.
What is the molecular formula of Ethyl 3-oxo-4-phenylhexanoate?
The molecular formula of Ethyl 3-oxo-4-phenylhexanoate is C14H18O3.
What is the molecular weight of Ethyl 3-oxo-4-phenylhexanoate?
The molecular weight of Ethyl 3-oxo-4-phenylhexanoate is 234.13 g/mol.
Where can I buy Ethyl 3-oxo-4-phenylhexanoate?
You can request a quote for Ethyl 3-oxo-4-phenylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-4-phenylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-4-phenylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.