![2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid structure](/static/products/330/330951-27-4.png)
2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid
TL;DR: 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid (CAS 330951-27-4) is a chemical compound with molecular formula C17H15Cl2NO3 and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-(3,4-dichloroanilino)-4-oxobutanoic acid
Also Known As: 2-benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid, 2-benzyl-3-[(3,4-dichlorophenyl)carbamoyl]propanoic Acid, 2-benzyl-4-(3,4-dichloroanilino)-4-oxobutanoic acid, 2-benzyl-4-((3,4-dichlorophenyl)amino)-4-oxobutanoic acid
| Molecular Formula | C17H15Cl2NO3 |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 4.2655 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.0429 |
| Heavy Atoms | 23 |
| Complexity | 704.2396 |
Chemical Identifiers
| CAS Number | 330951-27-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O |
Product Overview
2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid (CAS 330951-27-4), with molecular formula C17H15Cl2NO3 and molecular weight 351.04 g/mol. IUPAC: 2-benzyl-4-(3,4-dichloroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid
Property Insights of 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid
The XLogP value of 4.2655 indicates that 2-Benzyl-4-[(3,4-dichlorophenyl)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 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-Benzyl-4-[(3,4-dichlorophenyl)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 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid?
The CAS number of 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid is 330951-27-4.
What is the molecular formula of 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid?
The molecular formula of 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid is C17H15Cl2NO3.
What is the molecular weight of 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid?
The molecular weight of 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid is 351.04 g/mol.
Where can I buy 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid?
You can request a quote for 2-Benzyl-4-[(3,4-dichlorophenyl)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 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-[(3,4-dichlorophenyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.