3-Amino-3-(3-fluorophenyl)propanoic acid
TL;DR: 3-Amino-3-(3-fluorophenyl)propanoic acid (CAS 117-68-0) is a chemical compound with molecular formula C9H10FNO2 and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-(3-fluorophenyl)propanoic acid
Also Known As: 3-amino-3-(3-fluorophenyl)propanoic acid, 3-(3-Fluorophenyl)-beta-alanine, 3-Bromo-5-methoxy-pyridine, 3-fluorophenyl-beta-DL-alanine, 3-(3-fluoro-phenyl)-dl-beta-alanine
| Molecular Formula | C9H10FNO2 |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.06955 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 117-68-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(CC(=O)O)N |
| InChIKey | GZNJUJNKZBHINS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-3-(3-fluorophenyl)propanoic acid (CAS 117-68-0), with molecular formula C9H10FNO2 and molecular weight 183.07 g/mol. IUPAC: 3-amino-3-(3-fluorophenyl)propanoic acid.
Chemical Property Profile of 3-Amino-3-(3-fluorophenyl)propanoic acid
Property Insights of 3-Amino-3-(3-fluorophenyl)propanoic acid
The XLogP value of -1.9 indicates that 3-Amino-3-(3-fluorophenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-(3-fluorophenyl)propanoic acid. Following Lipinski's Rule of Five, 3-Amino-3-(3-fluorophenyl)propanoic 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 3-Amino-3-(3-fluorophenyl)propanoic acid?
The CAS number of 3-Amino-3-(3-fluorophenyl)propanoic acid is 117-68-0.
What is the molecular formula of 3-Amino-3-(3-fluorophenyl)propanoic acid?
The molecular formula of 3-Amino-3-(3-fluorophenyl)propanoic acid is C9H10FNO2.
What is the molecular weight of 3-Amino-3-(3-fluorophenyl)propanoic acid?
The molecular weight of 3-Amino-3-(3-fluorophenyl)propanoic acid is 183.07 g/mol.
Where can I buy 3-Amino-3-(3-fluorophenyl)propanoic acid?
You can request a quote for 3-Amino-3-(3-fluorophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-(3-fluorophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-(3-fluorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.