2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate
TL;DR: 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate (CAS 673441-61-7) is a chemical compound with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)methyl 4-(2,6-dimethylanilino)-4-oxobutanoate
Also Known As: (2-chlorophenyl)methyl 4-(2,6-dimethylanilino)-4-oxobutanoate, 2-chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate, 2-CHLOROBENZYL 4-(2,6-DIMETHYLANILINO)-4-OXOBUTANOATE, 2-chlorobenzyl 4-[(2,6-dimethylphenyl)amino]-4-oxobutanoate
| Molecular Formula | C19H20ClNO3 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 4.41894 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.11316 |
| Heavy Atoms | 24 |
| Complexity | 722.8918 |
Chemical Identifiers
| CAS Number | 673441-61-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)OCC2=CC=CC=C2Cl |
Product Overview
2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate (CAS 673441-61-7), with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol. IUPAC: (2-chlorophenyl)methyl 4-(2,6-dimethylanilino)-4-oxobutanoate.
Chemical Property Profile of 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate
Property Insights of 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate
The XLogP value of 4.41894 indicates that 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate has 1 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-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate?
The CAS number of 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate is 673441-61-7.
What is the molecular formula of 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate?
The molecular formula of 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate is C19H20ClNO3.
What is the molecular weight of 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate?
The molecular weight of 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate is 345.11 g/mol.
Where can I buy 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate?
You can request a quote for 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobenzyl 4-((2,6-dimethylphenyl)amino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.