4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid
TL;DR: 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid (CAS 34243-96-4) is a chemical compound with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-2-methyl-4-oxobutanoic acid
Also Known As: 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid, 2-Methyl-4-oxo-4-(3'-chlorophenyl)butyric acid, 2-METHYL-4-OXO-4- BUTYRICACID, 3-(m-chlorobenzoyl)-2-methylpropionic acid, Propionic acid, 3-(m-chlorobenzoyl)-2-methyl-
| Molecular Formula | C11H11ClO3 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.03967 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 34243-96-4 |
|---|---|
| SMILES | CC(CC(=O)C1=CC(=CC=C1)Cl)C(=O)O |
| InChIKey | LTEAZNXORJPLBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid (CAS 34243-96-4), with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol. IUPAC: 4-(3-chlorophenyl)-2-methyl-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid
Property Insights of 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic 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 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid?
The CAS number of 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid is 34243-96-4.
What is the molecular formula of 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid?
The molecular formula of 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid is C11H11ClO3.
What is the molecular weight of 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid?
The molecular weight of 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid is 226.04 g/mol.
Where can I buy 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid?
You can request a quote for 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.