2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid
TL;DR: 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid (CAS 19672-66-3) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid
Also Known As: 2-(benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid, 2-(benzylamino)-4-(4-chlorophenyl)-4-oxobutanoicacid, 2-(benzylamino)-4-(4-chlorophenyl)-4-oxo-butanoic Acid
| Molecular Formula | C17H16ClNO3 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 3.1558 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.08188 |
| Heavy Atoms | 22 |
| Complexity | 640.71344 |
Chemical Identifiers
| CAS Number | 19672-66-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid (CAS 19672-66-3), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: 2-(benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid
Property Insights of 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid
The XLogP value of 3.1558 indicates that 2-(Benzylamino)-4-(4-chlorophenyl)-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-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Benzylamino)-4-(4-chlorophenyl)-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 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid?
The CAS number of 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid is 19672-66-3.
What is the molecular formula of 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid?
The molecular formula of 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid is C17H16ClNO3.
What is the molecular weight of 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid?
The molecular weight of 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid is 317.08 g/mol.
Where can I buy 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid?
You can request a quote for 2-(Benzylamino)-4-(4-chlorophenyl)-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-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-4-(4-chlorophenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.