2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-
TL;DR: 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- (CAS 96604-27-2) is a chemical compound with molecular formula C11H11Cl2NO and molecular weight 243.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-, 1-(3,5-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one, 1-(3,5-dichlorophenyl)-3-dimethylamino-2-propen-1-one, (2Z)-1-(3,5-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
| Molecular Formula | C11H11Cl2NO |
|---|---|
| Molecular Weight | 243.02 g/mol |
| LogP | 3.2514 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.02177 |
| Heavy Atoms | 15 |
| Complexity | 379.32443 |
Chemical Identifiers
| CAS Number | 96604-27-2 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CC(=CC(=C1)Cl)Cl |
Product Overview
2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- (CAS 96604-27-2), with molecular formula C11H11Cl2NO and molecular weight 243.02 g/mol. IUPAC: 1-(3,5-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-
Property Insights of 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-
The XLogP value of 3.2514 indicates that 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- 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 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-?
The CAS number of 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- is 96604-27-2.
What is the molecular formula of 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-?
The molecular formula of 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- is C11H11Cl2NO.
What is the molecular weight of 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-?
The molecular weight of 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- is 243.02 g/mol.
Where can I buy 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-?
You can request a quote for 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 1-(3,5-dichlorophenyl)-3-(dimethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.