2-Chloro-3-methylbutanoic acid
TL;DR: 2-Chloro-3-methylbutanoic acid (CAS 84918-96-7) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-methylbutanoic acid
Also Known As: 2-Chloro-3-methylbutanoic acid, 2-Chloroisovaleric acid, (S)-2-Chloro-3-methylbutyric acid, Gliquidone Impurity 5, Gliquidone Impurity 8
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 84918-96-7 |
|---|---|
| SMILES | CC(C)C(C(=O)O)Cl |
| InChIKey | DDTJFSPKEIAZAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3-methylbutanoic acid (CAS 84918-96-7), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: 2-chloro-3-methylbutanoic acid.
Chemical Property Profile of 2-Chloro-3-methylbutanoic acid
Property Insights of 2-Chloro-3-methylbutanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chloro-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-methylbutanoic 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-3-methylbutanoic acid?
The CAS number of 2-Chloro-3-methylbutanoic acid is 84918-96-7.
What is the molecular formula of 2-Chloro-3-methylbutanoic acid?
The molecular formula of 2-Chloro-3-methylbutanoic acid is C5H9ClO2.
What is the molecular weight of 2-Chloro-3-methylbutanoic acid?
The molecular weight of 2-Chloro-3-methylbutanoic acid is 136.03 g/mol.
Where can I buy 2-Chloro-3-methylbutanoic acid?
You can request a quote for 2-Chloro-3-methylbutanoic 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-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.