3-Chlorolevulinic acid
TL;DR: 3-Chlorolevulinic acid (CAS 77012-53-4) is a chemical compound with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-oxopentanoic acid
Also Known As: 3-Chlorolevulinic acid, 3-chloro-4-oxopentanoic acid, Pentanoic acid, 3-chloro-4-oxo-, 3-chloro-4-oxo-valeric acid, RefChem:93519
| Molecular Formula | C5H7ClO3 |
|---|---|
| Molecular Weight | 150.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.00838 |
| Heavy Atoms | 9 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 77012-53-4 |
|---|---|
| SMILES | CC(=O)C(CC(=O)O)Cl |
| InChIKey | VDXVPHGHELUOLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorolevulinic acid (CAS 77012-53-4), with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol. IUPAC: 3-chloro-4-oxopentanoic acid.
Chemical Property Profile of 3-Chlorolevulinic acid
Property Insights of 3-Chlorolevulinic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorolevulinic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Chlorolevulinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorolevulinic acid has 1 hydrogen bond donor(s) and 3 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-Chlorolevulinic acid?
The CAS number of 3-Chlorolevulinic acid is 77012-53-4.
What is the molecular formula of 3-Chlorolevulinic acid?
The molecular formula of 3-Chlorolevulinic acid is C5H7ClO3.
What is the molecular weight of 3-Chlorolevulinic acid?
The molecular weight of 3-Chlorolevulinic acid is 150.01 g/mol.
Where can I buy 3-Chlorolevulinic acid?
You can request a quote for 3-Chlorolevulinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorolevulinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorolevulinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.