3-Chloro-2-methylpropionic acid
TL;DR: 3-Chloro-2-methylpropionic acid (CAS 82340-63-4) is a chemical compound with molecular formula C4H7ClO2 and molecular weight 122.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-methylpropanoic acid
Also Known As: 3-chloro-2-methylpropanoic acid, 3-Chloro-2-methylpropionic acid, 3-Cmpa, 3-chloro-2-methylpropanoicacid, Propanoic acid, 3-chloro-2-methyl-
| Molecular Formula | C4H7ClO2 |
|---|---|
| Molecular Weight | 122.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.01346 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 82340-63-4 |
|---|---|
| SMILES | CC(CCl)C(=O)O |
| InChIKey | AWSSTZZQBPIWKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-methylpropionic acid (CAS 82340-63-4), with molecular formula C4H7ClO2 and molecular weight 122.01 g/mol. IUPAC: 3-chloro-2-methylpropanoic acid.
Chemical Property Profile of 3-Chloro-2-methylpropionic acid
Property Insights of 3-Chloro-2-methylpropionic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methylpropionic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-2-methylpropionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methylpropionic 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 3-Chloro-2-methylpropionic acid?
The CAS number of 3-Chloro-2-methylpropionic acid is 82340-63-4.
What is the molecular formula of 3-Chloro-2-methylpropionic acid?
The molecular formula of 3-Chloro-2-methylpropionic acid is C4H7ClO2.
What is the molecular weight of 3-Chloro-2-methylpropionic acid?
The molecular weight of 3-Chloro-2-methylpropionic acid is 122.01 g/mol.
Where can I buy 3-Chloro-2-methylpropionic acid?
You can request a quote for 3-Chloro-2-methylpropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-methylpropionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methylpropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.