Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-
TL;DR: Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo- (CAS 124500-02-3) is a chemical compound with molecular formula C11H8ClNO3 and molecular weight 237.01927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-2-cyano-4-oxobutanoic acid
Also Known As: 2-Cyano-3-(p-chlorobenzoyl)propionic acid, 4-Chloro-alpha-cyano-gamma-oxobenzenebutanoic acid, Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-, 4-(4-chlorophenyl)-2-cyano-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C11H8ClNO3 |
| Molecular Weight | 237.01927 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.01927 Da |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
| SMILES | C1=CC(=CC=C1C(=O)CC(C#N)C(=O)O)Cl |
| InChIKey | WFMLJUZCCNCWEI-UHFFFAOYSA-N |
Chemical Property Profile of Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-
Property Insights of Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-. Following Lipinski's Rule of Five, Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-?
The CAS number of Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo- is 124500-02-3.
What is the molecular formula of Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-?
The molecular formula of Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo- is C11H8ClNO3.
What is the molecular weight of Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-?
The molecular weight of Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo- is 237.01927 g/mol.
Where can I buy Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-?
You can request a quote for Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-?
Yes, CoreyChem provides custom synthesis services for Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.