(2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate
TL;DR: (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate (CAS 5467-52-7) is a chemical compound with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate
Also Known As: (2-chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate, 2-chloro-3-ethoxy-3-oxoprop-1-en-1-yl benzoate, [(E)-2-chloro-3-ethoxy-3-oxoprop-1-enyl] benzoate
| Molecular Formula | C12H11ClO4 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.03459 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 5467-52-7 |
|---|---|
| SMILES | CCOC(=O)C(=COC(=O)C1=CC=CC=C1)Cl |
| InChIKey | ZZUBQXFEMCLHJO-UHFFFAOYSA-N |
Product Overview
(2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate (CAS 5467-52-7), with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol. IUPAC: (2-chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate.
Chemical Property Profile of (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate
Property Insights of (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate
The XLogP value of 3.0 indicates that (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate 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-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate?
The CAS number of (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate is 5467-52-7.
What is the molecular formula of (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate?
The molecular formula of (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate is C12H11ClO4.
What is the molecular weight of (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate?
The molecular weight of (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate is 254.03 g/mol.
Where can I buy (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate?
You can request a quote for (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-3-ethoxy-3-oxoprop-1-enyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.