Benzylidene-benzoylacetic acid ethyl ester
TL;DR: Benzylidene-benzoylacetic acid ethyl ester (CAS 17451-18-2) is a chemical compound with molecular formula C18H16O3 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzoyl-3-phenylprop-2-enoate
Also Known As: ethyl benzylidenebenzoylacetate, ethyl 2-benzoyl-3-phenylprop-2-enoate, benzylidene-benzoylacetic acid ethyl ester, benzylidenebenzoylacetic acid ethyl ester, ethyl 2-benzoyl-3-phenyl-prop-2-enoate
| Molecular Formula | C18H16O3 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.10995 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 17451-18-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | BHKXLHNAIARBLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylidene-benzoylacetic acid ethyl ester (CAS 17451-18-2), with molecular formula C18H16O3 and molecular weight 280.11 g/mol. IUPAC: ethyl 2-benzoyl-3-phenylprop-2-enoate.
Chemical Property Profile of Benzylidene-benzoylacetic acid ethyl ester
Property Insights of Benzylidene-benzoylacetic acid ethyl ester
The XLogP value of 3.9 indicates that Benzylidene-benzoylacetic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Benzylidene-benzoylacetic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylidene-benzoylacetic acid ethyl ester 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 Benzylidene-benzoylacetic acid ethyl ester?
The CAS number of Benzylidene-benzoylacetic acid ethyl ester is 17451-18-2.
What is the molecular formula of Benzylidene-benzoylacetic acid ethyl ester?
The molecular formula of Benzylidene-benzoylacetic acid ethyl ester is C18H16O3.
What is the molecular weight of Benzylidene-benzoylacetic acid ethyl ester?
The molecular weight of Benzylidene-benzoylacetic acid ethyl ester is 280.11 g/mol.
Where can I buy Benzylidene-benzoylacetic acid ethyl ester?
You can request a quote for Benzylidene-benzoylacetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylidene-benzoylacetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzylidene-benzoylacetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.