(E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid
TL;DR: (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid (CAS 206986-82-5) is a chemical compound with molecular formula C9H6ClFO2 and molecular weight 200.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)prop-2-enoic acid
Also Known As: 2-Chloro-6-fluorocinnamic acid, 6-chloro-2-fluorocinnamic acid, 3-(2-Chloro-6-fluorophenyl)acrylic acid, (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid, 3-(2-chloro-6-fluoro-phenyl)prop-2-enoic Acid
| Molecular Formula | C9H6ClFO2 |
|---|---|
| Molecular Weight | 200.00 g/mol |
| LogP | 2.5769 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.00403 |
| Heavy Atoms | 13 |
| Complexity | 340.3824 |
Chemical Identifiers
| CAS Number | 206986-82-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C=CC(=O)O)F |
Product Overview
(E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid (CAS 206986-82-5), with molecular formula C9H6ClFO2 and molecular weight 200.00 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)prop-2-enoic acid.
Chemical Property Profile of (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid
Property Insights of (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid
The XLogP value of 2.5769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid has 1 hydrogen bond donor(s) and 1 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)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid?
The CAS number of (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid is 206986-82-5.
What is the molecular formula of (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid?
The molecular formula of (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid is C9H6ClFO2.
What is the molecular weight of (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid?
The molecular weight of (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid is 200.00 g/mol.
Where can I buy (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid?
You can request a quote for (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.