Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate
TL;DR: Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate (CAS 149221-20-5) is a chemical compound with molecular formula C16H18ClNO3 and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: Ethyl 4-((4-chlorophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate, ethyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate, 3-Cyclohexene-1-carboxylic acid, 4-((4-chlorophenyl)amino)-6-methyl-2-oxo-, ethyl ester, ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate, ethyl 4-(4-chlorophenylamino)-6-methyl-2-oxocyclohex-3-enecarboxylate
| Molecular Formula | C16H18ClNO3 |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 3.424 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.09753 |
| Heavy Atoms | 21 |
| Complexity | 565.3898 |
Chemical Identifiers
| CAS Number | 149221-20-5 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(=CC1=O)NC2=CC=C(C=C2)Cl)C |
Product Overview
Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate (CAS 149221-20-5), with molecular formula C16H18ClNO3 and molecular weight 307.10 g/mol. IUPAC: ethyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate
Property Insights of Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate
The XLogP value of 3.424 indicates that Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate 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'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate 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 Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate?
The CAS number of Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate is 149221-20-5.
What is the molecular formula of Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate?
The molecular formula of Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate is C16H18ClNO3.
What is the molecular weight of Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate?
The molecular weight of Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate is 307.10 g/mol.
Where can I buy Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate?
You can request a quote for Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4'-chlorophenyl)amino-6-methyl-2-oxocyclohex-3-en-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.