2-Chloro-4-methylpentanoic acid
TL;DR: 2-Chloro-4-methylpentanoic acid (CAS 7596-35-2) is a chemical compound with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-methylpentanoic acid
Also Known As: 2-Chloro-4-methylpentanoic acid, 2-Chloroisocaproic acid, 2-Cica, alpha-Chloroisocaproate, 2-chloroisocaproicacid
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 7596-35-2 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)Cl |
| InChIKey | CBQBIPRPIHIKPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-methylpentanoic acid (CAS 7596-35-2), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: 2-chloro-4-methylpentanoic acid.
Chemical Property Profile of 2-Chloro-4-methylpentanoic acid
Property Insights of 2-Chloro-4-methylpentanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-methylpentanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chloro-4-methylpentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-methylpentanoic 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-Chloro-4-methylpentanoic acid?
The CAS number of 2-Chloro-4-methylpentanoic acid is 7596-35-2.
What is the molecular formula of 2-Chloro-4-methylpentanoic acid?
The molecular formula of 2-Chloro-4-methylpentanoic acid is C6H11ClO2.
What is the molecular weight of 2-Chloro-4-methylpentanoic acid?
The molecular weight of 2-Chloro-4-methylpentanoic acid is 150.04 g/mol.
Where can I buy 2-Chloro-4-methylpentanoic acid?
You can request a quote for 2-Chloro-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.