2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid
TL;DR: 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid (CAS 118409-66-8) is a chemical compound with molecular formula C10H6FNO2 and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoic acid
Also Known As: 2-Cyano-3-(4-fluorophenyl)acrylic acid, 2-cyano-3-(4-fluorophenyl)prop-2-enoic acid, 4-Fluoro-alpha-cyanocinnamic acid, (E)-2-Cyano-3-(4-fluorophenyl)acrylic acid, benzylidenemalononitrile (BMN) deriv. 28
| Molecular Formula | C10H6FNO2 |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.81728 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.03825 |
| Heavy Atoms | 14 |
| Complexity | 414.7433 |
Chemical Identifiers
| CAS Number | 118409-66-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)F |
Product Overview
2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid (CAS 118409-66-8), with molecular formula C10H6FNO2 and molecular weight 191.04 g/mol. IUPAC: (E)-2-cyano-3-(4-fluorophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid
Property Insights of 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid
The XLogP value of 1.81728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid has 1 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 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid?
The CAS number of 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid is 118409-66-8.
What is the molecular formula of 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid?
The molecular formula of 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid is C10H6FNO2.
What is the molecular weight of 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid?
The molecular weight of 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid is 191.04 g/mol.
Where can I buy 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid?
You can request a quote for 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(4-fluorophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.