alpha-Fluorocinnamic acid
TL;DR: alpha-Fluorocinnamic acid (CAS 36115-84-1) is a chemical compound with molecular formula C9H7FO2 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-fluoro-3-phenylprop-2-enoic acid
Also Known As: alpha-Fluorocinnamic acid, (Z)-2-Fluoro-3-phenylacrylic acid, .alpha.-Fluorocinnamic acid, Cinnamic acid, alpha-fluoro-, 2-fluoro-3-phenylacrylic acid
| Molecular Formula | C9H7FO2 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 2.0816 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.04301 |
| Heavy Atoms | 12 |
| Complexity | 303.5644 |
Chemical Identifiers
| CAS Number | 36115-84-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(/C(=O)O)\F |
Product Overview
alpha-Fluorocinnamic acid (CAS 36115-84-1), with molecular formula C9H7FO2 and molecular weight 166.04 g/mol. IUPAC: (Z)-2-fluoro-3-phenylprop-2-enoic acid.
Chemical Property Profile of alpha-Fluorocinnamic acid
Property Insights of alpha-Fluorocinnamic acid
The XLogP value of 2.0816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Fluorocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, alpha-Fluorocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-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 alpha-Fluorocinnamic acid?
The CAS number of alpha-Fluorocinnamic acid is 36115-84-1.
What is the molecular formula of alpha-Fluorocinnamic acid?
The molecular formula of alpha-Fluorocinnamic acid is C9H7FO2.
What is the molecular weight of alpha-Fluorocinnamic acid?
The molecular weight of alpha-Fluorocinnamic acid is 166.04 g/mol.
Where can I buy alpha-Fluorocinnamic acid?
You can request a quote for alpha-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-Fluorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Fluorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.