p-Fluoro-alpha-acetamidocinnamic Acid
TL;DR: p-Fluoro-alpha-acetamidocinnamic Acid (CAS 111649-72-0) is a chemical compound with molecular formula C11H10FNO3 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid
Also Known As: p-Fluoro-alpha-acetamidocinnamic Acid, p-fluoroacetaminocinnamic acid, P-FLUORO-A-ACETAMIDOCINNAMIC ACID, 2-acetamido-3-(4-fluorophenyl)prop-2-enoic Acid, p-Fluoro- -acetamidocinnamic Acid
| Molecular Formula | C11H10FNO3 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.06447 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 111649-72-0 |
|---|---|
| SMILES | CC(=O)NC(=CC1=CC=C(C=C1)F)C(=O)O |
| InChIKey | PYGHVJGHLGZANA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Fluoro-alpha-acetamidocinnamic Acid (CAS 111649-72-0), with molecular formula C11H10FNO3 and molecular weight 223.06 g/mol. IUPAC: 2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid.
Chemical Property Profile of p-Fluoro-alpha-acetamidocinnamic Acid
Property Insights of p-Fluoro-alpha-acetamidocinnamic Acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Fluoro-alpha-acetamidocinnamic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Fluoro-alpha-acetamidocinnamic Acid. Following Lipinski's Rule of Five, p-Fluoro-alpha-acetamidocinnamic Acid has 2 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 p-Fluoro-alpha-acetamidocinnamic Acid?
The CAS number of p-Fluoro-alpha-acetamidocinnamic Acid is 111649-72-0.
What is the molecular formula of p-Fluoro-alpha-acetamidocinnamic Acid?
The molecular formula of p-Fluoro-alpha-acetamidocinnamic Acid is C11H10FNO3.
What is the molecular weight of p-Fluoro-alpha-acetamidocinnamic Acid?
The molecular weight of p-Fluoro-alpha-acetamidocinnamic Acid is 223.06 g/mol.
Where can I buy p-Fluoro-alpha-acetamidocinnamic Acid?
You can request a quote for p-Fluoro-alpha-acetamidocinnamic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Fluoro-alpha-acetamidocinnamic Acid?
Yes, KEHONG BIO provides custom synthesis services for p-Fluoro-alpha-acetamidocinnamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.