4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid
TL;DR: 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid (CAS 667446-82-4) is a chemical compound with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-chlorophenoxy)anilino]-4-oxobutanoic acid
Also Known As: 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid, 4-[4-(2-chlorophenoxy)anilino]-4-oxobutanoic acid, 4-[4-(2-chlorophenoxy)anilino]-4-oxo-butanoic acid, 4-{[4-(2-chlorophenoxy)phenyl]amino}-4-oxobutanoic acid, 3-{[4-(2-CHLOROPHENOXY)PHENYL]CARBAMOYL}PROPANOIC ACID
| Molecular Formula | C16H14ClNO4 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 3.9356 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.06113 |
| Heavy Atoms | 22 |
| Complexity | 670.10095 |
Chemical Identifiers
| CAS Number | 667446-82-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC2=CC=C(C=C2)NC(=O)CCC(=O)O)Cl |
Product Overview
4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid (CAS 667446-82-4), with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol. IUPAC: 4-[4-(2-chlorophenoxy)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid
Property Insights of 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid
The XLogP value of 3.9356 indicates that 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((4-(2-Chlorophenoxy)phenyl)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-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid?
The CAS number of 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid is 667446-82-4.
What is the molecular formula of 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid is C16H14ClNO4.
What is the molecular weight of 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid is 319.06 g/mol.
Where can I buy 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((4-(2-Chlorophenoxy)phenyl)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-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(2-Chlorophenoxy)phenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.