2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate
TL;DR: 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate (CAS 94030-84-9) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-ethoxy-3-oxoprop-1-enyl)phenyl] butanoate
Also Known As: 2-(3-Ethoxy-3-oxoprop-1-enyl)phenyl butyrate, 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate, [2-(3-ethoxy-3-oxoprop-1-enyl)phenyl] butanoate, 2-(3-ETHOXY-3-OXOPROP-1-EN-1-YL)PHENYL BUTANOATE, RefChem:251515
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 2.9684 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 462.96832 |
Chemical Identifiers
| CAS Number | 94030-84-9 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=CC=C1C=CC(=O)OCC |
Product Overview
2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate (CAS 94030-84-9), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: [2-(3-ethoxy-3-oxoprop-1-enyl)phenyl] butanoate.
Chemical Property Profile of 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate
Property Insights of 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate
The XLogP value of 2.9684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate 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 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate?
The CAS number of 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate is 94030-84-9.
What is the molecular formula of 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate?
The molecular formula of 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate is C15H18O4.
What is the molecular weight of 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate?
The molecular weight of 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate is 262.12 g/mol.
Where can I buy 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate?
You can request a quote for 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.