![3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid structure](/static/products/3354/335417-46-4.webp)
3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid
TL;DR: 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid (CAS 335417-46-4) is a chemical compound with molecular formula C18H17Cl2NO3 and molecular weight 365.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-2-methylanilino)-3-[(4-chlorophenyl)methyl]-4-oxobutanoic acid
Also Known As: AB00113697-01, 3-(4-chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid, 3-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-(4-chlorophenyl)butanoic Acid, 4-((3-chloro-2-methylphenyl)amino)-3-(4-chlorobenzyl)-4-oxobutanoic acid, 3-[(3-CHLORO-2-METHYLPHENYL)CARBAMOYL]-4-(4-CHLOROPHENYL)BUTANOIC ACID
| Molecular Formula | C18H17Cl2NO3 |
|---|---|
| Molecular Weight | 365.06 g/mol |
| LogP | 4.57392 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.05856 |
| Heavy Atoms | 24 |
| Complexity | 744.42914 |
Chemical Identifiers
| CAS Number | 335417-46-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C(CC2=CC=C(C=C2)Cl)CC(=O)O |
Product Overview
3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid (CAS 335417-46-4), with molecular formula C18H17Cl2NO3 and molecular weight 365.06 g/mol. IUPAC: 4-(3-chloro-2-methylanilino)-3-[(4-chlorophenyl)methyl]-4-oxobutanoic acid.
Chemical Property Profile of 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid
Property Insights of 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid
The XLogP value of 4.57392 indicates that 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic 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 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid has 2 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-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid?
The CAS number of 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid is 335417-46-4.
What is the molecular formula of 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid?
The molecular formula of 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid is C18H17Cl2NO3.
What is the molecular weight of 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid?
The molecular weight of 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid is 365.06 g/mol.
Where can I buy 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid?
You can request a quote for 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-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 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.