1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene
TL;DR: 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene (CAS 85460-66-8) is a chemical compound with molecular formula C17H16ClNO and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Also Known As: 1-(4-Chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one, (E)-1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-2-propen-1-one, 1-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene, 1-(4-chlorophenyl)-3-(4-dimethylaminophenyl)prop-2-en-1-one
| Molecular Formula | C17H16ClNO |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.09204 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 85460-66-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | WUXTYVHXWDGPIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene (CAS 85460-66-8), with molecular formula C17H16ClNO and molecular weight 285.09 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene
Property Insights of 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene
The XLogP value of 3.8 indicates that 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene has 0 hydrogen bond donor(s) and 2 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 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene?
The CAS number of 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene is 85460-66-8.
What is the molecular formula of 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene?
The molecular formula of 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene is C17H16ClNO.
What is the molecular weight of 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene?
The molecular weight of 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene is 285.09 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene?
You can request a quote for 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-(4-dimethylaminophenyl)-1-oxoprop-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.