2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate
TL;DR: 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate (CAS 391246-68-7) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-ethoxybenzoate
Also Known As: 2-(2,4-dimethylanilino)-2-oxoethyl 4-ethoxybenzoate, [2-(2,4-dimethylanilino)-2-oxoethyl] 4-ethoxybenzoate, AP-906/42391464, 2-((2,4-dimethylphenyl)amino)-2-oxoethyl 4-ethoxybenzoate
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 391246-68-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)C)C |
| InChIKey | ZYCSNUBPVPMDET-UHFFFAOYSA-N |
Product Overview
2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate (CAS 391246-68-7), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: [2-(2,4-dimethylanilino)-2-oxoethyl] 4-ethoxybenzoate.
Chemical Property Profile of 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate
Property Insights of 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate
The XLogP value of 3.7 indicates that 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate. Following Lipinski's Rule of Five, 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate has 1 hydrogen bond donor(s) and 4 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-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate?
The CAS number of 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate is 391246-68-7.
What is the molecular formula of 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate?
The molecular formula of 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate is C19H21NO4.
What is the molecular weight of 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate?
The molecular weight of 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate is 327.15 g/mol.
Where can I buy 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate?
You can request a quote for 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dimethylanilino)-2-oxoethyl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.