3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester
TL;DR: 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester (CAS 149221-28-3) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-tert-butylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester, ethyl 4-(4-tert-butylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate, 1-(4-tert-Butylphenyl)amino-5-methyl-3-oxocyclohexene-4-carboxylic acid ethyl ester, ETHYL 4-[(4-TERT-BUTYLPHENYL)AMINO]-6-METHYL-2-OXOCYCLOHEX-3-ENE-1-CARBOXYLATE, Ethyl 6-methyl-2-oxo-4-[(4-tert-butylphenyl)amino]cyclohex-3-ene-1-carboxylate
| Molecular Formula | C20H27NO3 |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 4.0681 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1991 |
| Heavy Atoms | 24 |
| Complexity | 637.84296 |
Chemical Identifiers
| CAS Number | 149221-28-3 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(=CC1=O)NC2=CC=C(C=C2)C(C)(C)C)C |
Product Overview
3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester (CAS 149221-28-3), with molecular formula C20H27NO3 and molecular weight 329.20 g/mol. IUPAC: ethyl 4-(4-tert-butylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester
Property Insights of 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester
The XLogP value of 4.0681 indicates that 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester 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 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester?
The CAS number of 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester is 149221-28-3.
What is the molecular formula of 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester?
The molecular formula of 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester is C20H27NO3.
What is the molecular weight of 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester?
The molecular weight of 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester is 329.20 g/mol.
Where can I buy 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester?
You can request a quote for 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.