(Z)-Ethyl 2-benzylidene-3-oxobutanoate
TL;DR: (Z)-Ethyl 2-benzylidene-3-oxobutanoate (CAS 15802-62-7) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-benzylidene-3-oxobutanoate
Also Known As: (Z)-Ethyl 2-benzylidene-3-oxobutanoate, FEMA No. 4597, Z-, Ethyl 2-benzylideneacetoacetate, Ethyl .alpha.-acetylcinnamate, Ethyl alpha-acetylcinnamate
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.2221 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 404.4457 |
Chemical Identifiers
| CAS Number | 15802-62-7 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=CC=C1)/C(=O)C |
Product Overview
(Z)-Ethyl 2-benzylidene-3-oxobutanoate (CAS 15802-62-7), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: ethyl (2Z)-2-benzylidene-3-oxobutanoate.
Chemical Property Profile of (Z)-Ethyl 2-benzylidene-3-oxobutanoate
Property Insights of (Z)-Ethyl 2-benzylidene-3-oxobutanoate
The XLogP value of 2.2221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-Ethyl 2-benzylidene-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.37 Ų, (Z)-Ethyl 2-benzylidene-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-Ethyl 2-benzylidene-3-oxobutanoate 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 (Z)-Ethyl 2-benzylidene-3-oxobutanoate?
The CAS number of (Z)-Ethyl 2-benzylidene-3-oxobutanoate is 15802-62-7.
What is the molecular formula of (Z)-Ethyl 2-benzylidene-3-oxobutanoate?
The molecular formula of (Z)-Ethyl 2-benzylidene-3-oxobutanoate is C13H14O3.
What is the molecular weight of (Z)-Ethyl 2-benzylidene-3-oxobutanoate?
The molecular weight of (Z)-Ethyl 2-benzylidene-3-oxobutanoate is 218.09 g/mol.
Where can I buy (Z)-Ethyl 2-benzylidene-3-oxobutanoate?
You can request a quote for (Z)-Ethyl 2-benzylidene-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-Ethyl 2-benzylidene-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-Ethyl 2-benzylidene-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.