5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one
TL;DR: 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one (CAS 332861-72-0) is a chemical compound with molecular formula C20H20ClNO2 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-3-(4-ethoxyanilino)cyclohex-2-en-1-one
Also Known As: BAS 01849643, 5-(4-chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one, 5-(4-chlorophenyl)-3-(4-ethoxyanilino)cyclohex-2-en-1-one, 5-(4-Chloro-phenyl)-3-(4-ethoxy-phenylamino)-cyclohex-2-enone, 5-(4-CHLOROPHENYL)-3-[(4-ETHOXYPHENYL)AMINO]CYCLOHEX-2-EN-1-ONE
| Molecular Formula | C20H20ClNO2 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 5.1812 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.11826 |
| Heavy Atoms | 24 |
| Complexity | 735.2391 |
Chemical Identifiers
| CAS Number | 332861-72-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=C(C=C3)Cl |
Product Overview
5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one (CAS 332861-72-0), with molecular formula C20H20ClNO2 and molecular weight 341.12 g/mol. IUPAC: 5-(4-chlorophenyl)-3-(4-ethoxyanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one
Property Insights of 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one
The XLogP value of 5.1812 indicates that 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one?
The CAS number of 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one is 332861-72-0.
What is the molecular formula of 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one?
The molecular formula of 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one is C20H20ClNO2.
What is the molecular weight of 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one?
The molecular weight of 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one is 341.12 g/mol.
Where can I buy 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one?
You can request a quote for 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-3-(4-ethoxyanilino)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.