4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid
TL;DR: 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid (CAS 1026765-06-9) is a chemical compound with molecular formula C14H18Cl2N2O3 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dichloroanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid
Also Known As: 4-((3,4-dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid, 4-(3,4-dichloroanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid, F1278-0751, 3-[(3,4-dichlorophenyl)carbamoyl]-2-(2-methylpropylamino)propanoic Acid, 3-[N-(3,4-dichlorophenyl)carbamoyl]-2-[(2-methylpropyl)amino]propanoic acid
| Molecular Formula | C14H18Cl2N2O3 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 3.0208 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.06946 |
| Heavy Atoms | 21 |
| Complexity | 520.9406 |
Chemical Identifiers
| CAS Number | 1026765-06-9 |
|---|---|
| SMILES | CC(C)CNC(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)O |
Product Overview
4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid (CAS 1026765-06-9), with molecular formula C14H18Cl2N2O3 and molecular weight 332.07 g/mol. IUPAC: 4-(3,4-dichloroanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid
Property Insights of 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid
The XLogP value of 3.0208 indicates that 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid has 3 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 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid?
The CAS number of 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid is 1026765-06-9.
What is the molecular formula of 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid?
The molecular formula of 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid is C14H18Cl2N2O3.
What is the molecular weight of 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid?
The molecular weight of 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid is 332.07 g/mol.
Where can I buy 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid?
You can request a quote for 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-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 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3,4-Dichlorophenyl)amino)-2-(isobutylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.