2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid
TL;DR: 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid (CAS 1008267-72-8) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid
Also Known As: 2-(3-chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid, 2-[(3-chloro-2-methylphenyl)amino]-4-oxo-4-phenylbutanoic acid, 2-((3-chloro-2-methylphenyl)amino)-4-oxo-4-phenylbutanoic acid
Technical Specifications
| Molecular Formula | C17H16ClNO3 |
| Molecular Weight | 317.08188 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.08188 Da |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
| SMILES | CC1=C(C=CC=C1Cl)NC(CC(=O)C2=CC=CC=C2)C(=O)O |
| InChIKey | FFZQJBQRNBTWNA-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid
Property Insights of 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid
The XLogP value of 4.4 indicates that 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid. Following Lipinski's Rule of Five, 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid has 2 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 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid?
The CAS number of 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid is 1008267-72-8.
What is the molecular formula of 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid is C17H16ClNO3.
What is the molecular weight of 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid is 317.08188 g/mol.
Where can I buy 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-Chloro-2-methylanilino)-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.