3-Amino-4-fluorobutanoic acid
TL;DR: 3-Amino-4-fluorobutanoic acid (CAS 81560-75-0) is a chemical compound with molecular formula C(C(CF)N)C(=O)O and molecular weight 121.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-fluorobutanoic acid
Also Known As: 3-Amino-4-fluorobutanoic acid, 3-Amino-4-fluorobutanoate, 3-Amino-4-fluorobutyric acid, (carboxymethyl)-aminoethyl fluoran, Butanoic acid, 3-amino-4-fluoro-
| Molecular Formula | C(C(CF)N)C(=O)O |
|---|---|
| Molecular Weight | 121.05 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 121.05391 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 81560-75-0 |
|---|---|
| SMILES | C(C(CF)N)C(=O)O |
| InChIKey | HKFNXEFUGVQTNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-4-fluorobutanoic acid (CAS 81560-75-0), with molecular formula C(C(CF)N)C(=O)O and molecular weight 121.05 g/mol. IUPAC: 3-amino-4-fluorobutanoic acid.
Chemical Property Profile of 3-Amino-4-fluorobutanoic acid
Property Insights of 3-Amino-4-fluorobutanoic acid
The XLogP value of -3.1 indicates that 3-Amino-4-fluorobutanoic 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-4-fluorobutanoic acid. Following Lipinski's Rule of Five, 3-Amino-4-fluorobutanoic 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-4-fluorobutanoic acid?
The CAS number of 3-Amino-4-fluorobutanoic acid is 81560-75-0.
What is the molecular formula of 3-Amino-4-fluorobutanoic acid?
The molecular formula of 3-Amino-4-fluorobutanoic acid is C(C(CF)N)C(=O)O.
What is the molecular weight of 3-Amino-4-fluorobutanoic acid?
The molecular weight of 3-Amino-4-fluorobutanoic acid is 121.05 g/mol.
Where can I buy 3-Amino-4-fluorobutanoic acid?
You can request a quote for 3-Amino-4-fluorobutanoic 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-4-fluorobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-fluorobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.