ethyl (3E)-3-benzylidene-4-oxopentanoate
TL;DR: ethyl (3E)-3-benzylidene-4-oxopentanoate (CAS 5435-94-9) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3E)-3-benzylidene-4-oxopentanoate
Also Known As: ethyl (3E)-3-benzylidene-4-oxopentanoate, J2.104.575F, (E)-4-Phenyl-3-acetyl-3-butenoic acid ethyl ester, ETHYL (3E)-4-OXO-3-(PHENYLMETHYLIDENE)PENTANOATE
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.6122 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 418.35327 |
Chemical Identifiers
| CAS Number | 5435-94-9 |
|---|---|
| SMILES | CCOC(=O)C/C(=C\C1=CC=CC=C1)/C(=O)C |
Product Overview
ethyl (3E)-3-benzylidene-4-oxopentanoate (CAS 5435-94-9), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: ethyl (3E)-3-benzylidene-4-oxopentanoate.
Chemical Property Profile of ethyl (3E)-3-benzylidene-4-oxopentanoate
Property Insights of ethyl (3E)-3-benzylidene-4-oxopentanoate
The XLogP value of 2.6122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3E)-3-benzylidene-4-oxopentanoate. With a topological polar surface area (TPSA) of 43.37 Ų, ethyl (3E)-3-benzylidene-4-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3E)-3-benzylidene-4-oxopentanoate 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 (3E)-3-benzylidene-4-oxopentanoate?
The CAS number of ethyl (3E)-3-benzylidene-4-oxopentanoate is 5435-94-9.
What is the molecular formula of ethyl (3E)-3-benzylidene-4-oxopentanoate?
The molecular formula of ethyl (3E)-3-benzylidene-4-oxopentanoate is C14H16O3.
What is the molecular weight of ethyl (3E)-3-benzylidene-4-oxopentanoate?
The molecular weight of ethyl (3E)-3-benzylidene-4-oxopentanoate is 232.11 g/mol.
Where can I buy ethyl (3E)-3-benzylidene-4-oxopentanoate?
You can request a quote for ethyl (3E)-3-benzylidene-4-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3E)-3-benzylidene-4-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3E)-3-benzylidene-4-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.