2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid
TL;DR: 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid (CAS 1009230-62-9) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid
Also Known As: 2-(3-chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid, 2-[(3-chloro-4-methylphenyl)amino]-4-oxo-4-phenylbutanoic acid, 2-(3-Chloro-4-methyl-phenylamino)-4-oxo-4-phenyl-butyric acid, 2-((3-chloro-4-methylphenyl)amino)-4-oxo-4-phenylbutanoic acid, 2-[(3-chloro-4-methyl-phenyl)amino]-4-oxo-4-phenyl-butanoic Acid
| Molecular Formula | C17H16ClNO3 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 3.78652 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.08188 |
| Heavy Atoms | 22 |
| Complexity | 685.55835 |
Chemical Identifiers
| CAS Number | 1009230-62-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(CC(=O)C2=CC=CC=C2)C(=O)O)Cl |
Product Overview
2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid (CAS 1009230-62-9), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: 2-(3-chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid
Property Insights of 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid
The XLogP value of 3.78652 indicates that 2-(3-Chloro-4-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-4-methylanilino)-4-oxo-4-phenylbutanoic acid. Following Lipinski's Rule of Five, 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid has 2 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 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid?
The CAS number of 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid is 1009230-62-9.
What is the molecular formula of 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid is C17H16ClNO3.
What is the molecular weight of 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid is 317.08 g/mol.
Where can I buy 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.