3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester
TL;DR: 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester (CAS 149221-29-4) is a chemical compound with molecular formula C17H18F3NO3 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylate
Also Known As: 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester, ethyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylate, 1-[4-(Trifluoromethyl)phenyl]amino-5-methyl-3-oxocyclohexene-4-carboxylic acid ethyl ester, ETHYL 6-METHYL-2-OXO-4-{[4-(TRIFLUOROMETHYL)PHENYL]AMINO}CYCLOHEX-3-ENE-1-CARBOXYLATE, RefChem:278767
| Molecular Formula | C17H18F3NO3 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.7894 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.12387 |
| Heavy Atoms | 24 |
| Complexity | 650.0398 |
Chemical Identifiers
| CAS Number | 149221-29-4 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(=CC1=O)NC2=CC=C(C=C2)C(F)(F)F)C |
Product Overview
3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester (CAS 149221-29-4), with molecular formula C17H18F3NO3 and molecular weight 341.12 g/mol. IUPAC: ethyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylate.
Chemical Property Profile of 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester
Property Insights of 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester
The XLogP value of 3.7894 indicates that 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, 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, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, 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, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester?
The CAS number of 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester is 149221-29-4.
What is the molecular formula of 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester?
The molecular formula of 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester is C17H18F3NO3.
What is the molecular weight of 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester?
The molecular weight of 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester is 341.12 g/mol.
Where can I buy 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester?
You can request a quote for 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, 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, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.