3-Chloro-4-fluorocinnamic acid
TL;DR: 3-Chloro-4-fluorocinnamic acid (CAS 58537-11-4) 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.
(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoic acid
Also Known As: 3-Chloro-4-fluorocinnamic acid, 3-Chloro-4-fluorocinnamicacid, RARECHEM BK HW 0061, 3-(3-CHLORO-4-FLUOROPHENYL)ACRYLIC ACID, (2E)-3-(3-chloro-4-fluorophenyl)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 | 360.6324 |
Chemical Identifiers
| CAS Number | 58537-11-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O)Cl)F |
Product Overview
3-Chloro-4-fluorocinnamic acid (CAS 58537-11-4), with molecular formula C9H6ClFO2 and molecular weight 200.00 g/mol. IUPAC: (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-Chloro-4-fluorocinnamic acid
Property Insights of 3-Chloro-4-fluorocinnamic acid
The XLogP value of 2.5769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluorocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-4-fluorocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluorocinnamic 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 3-Chloro-4-fluorocinnamic acid?
The CAS number of 3-Chloro-4-fluorocinnamic acid is 58537-11-4.
What is the molecular formula of 3-Chloro-4-fluorocinnamic acid?
The molecular formula of 3-Chloro-4-fluorocinnamic acid is C9H6ClFO2.
What is the molecular weight of 3-Chloro-4-fluorocinnamic acid?
The molecular weight of 3-Chloro-4-fluorocinnamic acid is 200.00 g/mol.
Where can I buy 3-Chloro-4-fluorocinnamic acid?
You can request a quote for 3-Chloro-4-fluorocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.