5-Fluoro-4-oxopentanoic acid
TL;DR: 5-Fluoro-4-oxopentanoic acid (CAS 80-42-2) is a chemical compound with molecular formula C(CC(=O)O)C(=O)CF and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-4-oxopentanoic acid
Also Known As: 5-FLUOROLEVULINIC ACID, 5-Fluoro-4-oxopentanoic acid, 1gzg, Substrate analogue, 9, 5-Fluoro-4-oxopentanoate
| Molecular Formula | C(CC(=O)O)C(=O)CF |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.03792 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 80-42-2 |
|---|---|
| SMILES | C(CC(=O)O)C(=O)CF |
| InChIKey | MBVLGMJBSFUHKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoro-4-oxopentanoic acid (CAS 80-42-2), with molecular formula C(CC(=O)O)C(=O)CF and molecular weight 134.04 g/mol. IUPAC: 5-fluoro-4-oxopentanoic acid.
Chemical Property Profile of 5-Fluoro-4-oxopentanoic acid
Property Insights of 5-Fluoro-4-oxopentanoic acid
The XLogP value of -0.2 indicates that 5-Fluoro-4-oxopentanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Fluoro-4-oxopentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-4-oxopentanoic acid has 1 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 5-Fluoro-4-oxopentanoic acid?
The CAS number of 5-Fluoro-4-oxopentanoic acid is 80-42-2.
What is the molecular formula of 5-Fluoro-4-oxopentanoic acid?
The molecular formula of 5-Fluoro-4-oxopentanoic acid is C(CC(=O)O)C(=O)CF.
What is the molecular weight of 5-Fluoro-4-oxopentanoic acid?
The molecular weight of 5-Fluoro-4-oxopentanoic acid is 134.04 g/mol.
Where can I buy 5-Fluoro-4-oxopentanoic acid?
You can request a quote for 5-Fluoro-4-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-4-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-4-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.