(E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester
TL;DR: (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester (CAS 110915-34-9) is a chemical compound with molecular formula C11H10ClFO2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(3-chlorophenyl)-2-fluoroprop-2-enoate
Also Known As: ethyl 2-fluoro-3-(3-chlorophenyl)acrylate, J2.605.588A, ethyl (2Z)-3-(3-chlorophenyl)-2-fluoroacrylate, (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester, alpha-Fluoro-3-chloro-trans-cinnamic acid ethyl ester
| Molecular Formula | C11H10ClFO2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.03534 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 110915-34-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC(=CC=C1)Cl)/F |
| InChIKey | KHEDYYDWVKJRTP-YFHOEESVSA-N |
Product Overview
(E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester (CAS 110915-34-9), with molecular formula C11H10ClFO2 and molecular weight 228.04 g/mol. IUPAC: ethyl (Z)-3-(3-chlorophenyl)-2-fluoroprop-2-enoate.
Chemical Property Profile of (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester
Property Insights of (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester
The XLogP value of 3.4 indicates that (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic 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 (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester?
The CAS number of (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester is 110915-34-9.
What is the molecular formula of (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester?
The molecular formula of (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester is C11H10ClFO2.
What is the molecular weight of (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester?
The molecular weight of (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester is 228.04 g/mol.
Where can I buy (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester?
You can request a quote for (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic 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 (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Fluoro-3-(3-chlorophenyl)-propenoic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.