![3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid structure](/static/products/333/333324-68-8.png)
3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid
TL;DR: 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid (CAS 333324-68-8) is a chemical compound with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-4-(3,4-dimethylanilino)-4-oxobutanoic acid
Also Known As: 3-(4-chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid, 4-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)carbamoyl]butanoic Acid, 3-(4-chlorobenzyl)-4-(3,4-dimethylanilino)-4-oxobutanoic acid, 3-(4-chlorobenzyl)-4-((3,4-dimethylphenyl)amino)-4-oxobutanoic acid, 3-[(4-chlorophenyl)methyl]-4-(3,4-dimethylanilino)-4-oxobutanoic acid
| Molecular Formula | C19H20ClNO3 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 4.22894 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.11316 |
| Heavy Atoms | 24 |
| Complexity | 740.77716 |
Chemical Identifiers
| CAS Number | 333324-68-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)Cl)CC(=O)O)C |
Product Overview
3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid (CAS 333324-68-8), with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-4-(3,4-dimethylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid
Property Insights of 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid
The XLogP value of 4.22894 indicates that 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid?
The CAS number of 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid is 333324-68-8.
What is the molecular formula of 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid?
The molecular formula of 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid is C19H20ClNO3.
What is the molecular weight of 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid?
The molecular weight of 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid is 345.11 g/mol.
Where can I buy 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid?
You can request a quote for 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorobenzyl)-4-[(3,4-dimethylphenyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.