alpha-Cyano-2-fluorocinnamic acid
TL;DR: alpha-Cyano-2-fluorocinnamic acid (CAS 103417-98-7) 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.
2-cyano-3-(2-fluorophenyl)prop-2-enoic acid
Also Known As: alpha-cyano-2-fluorocinnamic acid, 2-cyano-3-(2-fluorophenyl)prop-2-enoic acid, 2-Propenoic acid, 2-cyano-3-(2-fluorophenyl)-
| Molecular Formula | C10H6FNO2 |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.03825 |
| Heavy Atoms | 14 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 103417-98-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C(C#N)C(=O)O)F |
| InChIKey | DESWKKYKBFHUTI-UHFFFAOYSA-N |
Product Overview
alpha-Cyano-2-fluorocinnamic acid (CAS 103417-98-7), with molecular formula C10H6FNO2 and molecular weight 191.04 g/mol. IUPAC: 2-cyano-3-(2-fluorophenyl)prop-2-enoic acid.
Chemical Property Profile of alpha-Cyano-2-fluorocinnamic acid
Property Insights of alpha-Cyano-2-fluorocinnamic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Cyano-2-fluorocinnamic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Cyano-2-fluorocinnamic acid. Following Lipinski's Rule of Five, alpha-Cyano-2-fluorocinnamic acid has 1 hydrogen bond donor(s) and 4 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 alpha-Cyano-2-fluorocinnamic acid?
The CAS number of alpha-Cyano-2-fluorocinnamic acid is 103417-98-7.
What is the molecular formula of alpha-Cyano-2-fluorocinnamic acid?
The molecular formula of alpha-Cyano-2-fluorocinnamic acid is C10H6FNO2.
What is the molecular weight of alpha-Cyano-2-fluorocinnamic acid?
The molecular weight of alpha-Cyano-2-fluorocinnamic acid is 191.04 g/mol.
Where can I buy alpha-Cyano-2-fluorocinnamic acid?
You can request a quote for alpha-Cyano-2-fluorocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyano-2-fluorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyano-2-fluorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.