Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate
TL;DR: Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate (CAS 149221-21-6) is a chemical compound with molecular formula C16H18BrNO3 and molecular weight 351.047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(4-bromoanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate, 3-Cyclohexene-1-carboxylic acid, 4-((4-bromophenyl)amino)-6-methyl-2-oxo-, ethyl ester, ethyl 4-(4-bromoanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate, ethyl 4-(4'-bromophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate, 1-(4-Bromophenyl)amino-5-methyl-3-oxocyclohexene-4-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C16H18BrNO3 |
| Molecular Weight | 351.047 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.047 Da |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
| SMILES | CCOC(=O)C1C(CC(=CC1=O)NC2=CC=C(C=C2)Br)C |
| InChIKey | VRSKOJKTDWTSJV-UHFFFAOYSA-N |
Product Description
Applications: AC1MIMP0 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MIMP0 (CAS 149221-21-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, AC1MIMP0 (CAS 149221-21-6) has the molecular formula C16H18BrNO3 and a molecular weight of 351.05 g/mol. It is also known as Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate and 3-Cyclohexene-1-carboxylic acid, 4-((4-bromophenyl)amino)-6-methyl-2-oxo-, ethyl ester.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate
Property Insights of Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate
The XLogP value of 3.8 indicates that Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-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, Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-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 Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
The CAS number of Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate is 149221-21-6.
What is the molecular formula of Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
The molecular formula of Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate is C16H18BrNO3.
What is the molecular weight of Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
The molecular weight of Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate is 351.047 g/mol.
What are the applications of Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
AC1MIMP0 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MIMP0 (CAS 149221-21-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
You can request a quote for Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.