2-(3-Cyano-4-fluorophenyl)acetic acid
TL;DR: 2-(3-Cyano-4-fluorophenyl)acetic acid (CAS 519059-11-1) is a chemical compound with molecular formula C9H6FNO2 and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyano-4-fluorophenyl)acetic acid
Also Known As: 2-(3-cyano-4-fluorophenyl)acetic acid, 3-Cyano-4-fluorophenylacetic acid, (3-cyano-4-fluorophenyl)acetic acid, 1-Bromo-3,4-dichlorobutane, 2-(3-Cyano-4-fluorophenyl)aceticacid
| Molecular Formula | C9H6FNO2 |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 1.32448 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.03825 |
| Heavy Atoms | 13 |
| Complexity | 381.69135 |
Chemical Identifiers
| CAS Number | 519059-11-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(=O)O)C#N)F |
Product Overview
2-(3-Cyano-4-fluorophenyl)acetic acid (CAS 519059-11-1), with molecular formula C9H6FNO2 and molecular weight 179.04 g/mol. IUPAC: 2-(3-cyano-4-fluorophenyl)acetic acid.
Chemical Property Profile of 2-(3-Cyano-4-fluorophenyl)acetic acid
Property Insights of 2-(3-Cyano-4-fluorophenyl)acetic acid
The XLogP value of 1.32448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Cyano-4-fluorophenyl)acetic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Cyano-4-fluorophenyl)acetic acid. Following Lipinski's Rule of Five, 2-(3-Cyano-4-fluorophenyl)acetic 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-(3-Cyano-4-fluorophenyl)acetic acid?
The CAS number of 2-(3-Cyano-4-fluorophenyl)acetic acid is 519059-11-1.
What is the molecular formula of 2-(3-Cyano-4-fluorophenyl)acetic acid?
The molecular formula of 2-(3-Cyano-4-fluorophenyl)acetic acid is C9H6FNO2.
What is the molecular weight of 2-(3-Cyano-4-fluorophenyl)acetic acid?
The molecular weight of 2-(3-Cyano-4-fluorophenyl)acetic acid is 179.04 g/mol.
Where can I buy 2-(3-Cyano-4-fluorophenyl)acetic acid?
You can request a quote for 2-(3-Cyano-4-fluorophenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Cyano-4-fluorophenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Cyano-4-fluorophenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.