3-(2-Chloro-6-fluorophenyl)-2-propenoate
TL;DR: 3-(2-Chloro-6-fluorophenyl)-2-propenoate (CAS 392-22-3) is a chemical compound with molecular formula C9H5ClFO2- and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate
Also Known As: 3-(2-chloro-6-fluorophenyl)-2-propenoate, (E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate
| Molecular Formula | C9H5ClFO2- |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 1.2422 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.99622 |
| Heavy Atoms | 13 |
| Complexity | 340.3824 |
Chemical Identifiers
| CAS Number | 392-22-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C/C(=O)[O-])F |
Product Overview
3-(2-Chloro-6-fluorophenyl)-2-propenoate (CAS 392-22-3), with molecular formula C9H5ClFO2- and molecular weight 199.00 g/mol. IUPAC: (E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate.
Chemical Property Profile of 3-(2-Chloro-6-fluorophenyl)-2-propenoate
Property Insights of 3-(2-Chloro-6-fluorophenyl)-2-propenoate
The XLogP value of 1.2422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloro-6-fluorophenyl)-2-propenoate. With a topological polar surface area (TPSA) of 40.13 Ų, 3-(2-Chloro-6-fluorophenyl)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloro-6-fluorophenyl)-2-propenoate has 0 hydrogen bond donor(s) and 2 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 3-(2-Chloro-6-fluorophenyl)-2-propenoate?
The CAS number of 3-(2-Chloro-6-fluorophenyl)-2-propenoate is 392-22-3.
What is the molecular formula of 3-(2-Chloro-6-fluorophenyl)-2-propenoate?
The molecular formula of 3-(2-Chloro-6-fluorophenyl)-2-propenoate is C9H5ClFO2-.
What is the molecular weight of 3-(2-Chloro-6-fluorophenyl)-2-propenoate?
The molecular weight of 3-(2-Chloro-6-fluorophenyl)-2-propenoate is 199.00 g/mol.
Where can I buy 3-(2-Chloro-6-fluorophenyl)-2-propenoate?
You can request a quote for 3-(2-Chloro-6-fluorophenyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloro-6-fluorophenyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-fluorophenyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.