1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one
TL;DR: 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one (CAS 876376-75-9) is a chemical compound with molecular formula C11H12ClNO and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: 1-(3-chlorophenyl)-3-(dimethylamino)-2-propen-1-one, 1-(3-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one, 3'-chloro-3-dimethylaminoacrylophenone, (2E)-1-(3-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one, 1-(3-Chlorophenyl)-3-dimethylaminopropenone
| Molecular Formula | C11H12ClNO |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.06075 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 876376-75-9 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | LDBZHHVGVAIVBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one (CAS 876376-75-9), with molecular formula C11H12ClNO and molecular weight 209.06 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one
Property Insights of 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one 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-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one?
The CAS number of 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one is 876376-75-9.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one?
The molecular formula of 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one is C11H12ClNO.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one?
The molecular weight of 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one is 209.06 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one?
You can request a quote for 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-(dimethylamino)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.