4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid
TL;DR: 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid (CAS 1026778-83-5) is a chemical compound with molecular formula C21H24ClNO3 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
Also Known As: 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid, 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid, 4-(4-tert-butylphenyl)-2-{[(4-chlorophenyl)methyl]amino}-4-oxobutanoic acid, 2-[(4-chlorophenyl)methylamino]-4-oxo-4-(4-tert-butylphenyl)butanoic Acid, 4-(4-tert-butylphenyl)-2-{[(4-chlorophenyl)methyl]amino}-4-oxobutanoicacid
| Molecular Formula | C21H24ClNO3 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | 4.4533 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.14447 |
| Heavy Atoms | 26 |
| Complexity | 761.3384 |
Chemical Identifiers
| CAS Number | 1026778-83-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=C(C=C2)Cl |
Product Overview
4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid (CAS 1026778-83-5), with molecular formula C21H24ClNO3 and molecular weight 373.14 g/mol. IUPAC: 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid
Property Insights of 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid
The XLogP value of 4.4533 indicates that 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)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 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic 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 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid?
The CAS number of 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid is 1026778-83-5.
What is the molecular formula of 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid?
The molecular formula of 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid is C21H24ClNO3.
What is the molecular weight of 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid?
The molecular weight of 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid is 373.14 g/mol.
Where can I buy 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid?
You can request a quote for 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)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 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Tert-butyl)phenyl)-2-((4-chlorobenzyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.