Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
TL;DR: Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate (CAS 142458-15-9) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: Methyl 4-((4-ethylphenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate, 3-Cyclohexene-1-carboxylic acid, 4-((4-ethylphenyl)amino)-6-methyl-2-oxo-, methyl ester, methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate, 4-[(4-Ethylphenyl)amino]-6-methyl-2-oxo-3-cyclohexene-1-carboxylic acid methyl ester, 6-Methyl-4-(p-ethylanilino)-2-oxo-3-cyclohexene-1-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.15213 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.15213 Da |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
| SMILES | CCC1=CC=C(C=C1)NC2=CC(=O)C(C(C2)C)C(=O)OC |
| InChIKey | JUSHIWVTRFXHCW-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Property Insights of Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
The XLogP value of 3.5 indicates that Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate 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
What is the CAS number of Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
The CAS number of Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate is 142458-15-9.
What is the molecular formula of Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
The molecular formula of Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate is C17H21NO3.
What is the molecular weight of Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
The molecular weight of Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate is 287.15213 g/mol.
Where can I buy Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
You can request a quote for Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(4-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.