3-Dimethylamino-2-(4-chlorobenzoyl)propene
TL;DR: 3-Dimethylamino-2-(4-chlorobenzoyl)propene (CAS 108664-47-7) is a chemical compound with molecular formula C12H14ClNO and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[(dimethylamino)methyl]prop-2-en-1-one
Also Known As: Acrylophenone derivitive, 3-Dimethylamino-2-(4-chlorobenzoyl)propene, J2.439.761K, 1-(4-chlorophenyl)-2-(dimethylaminomethyl)prop-2-en-1-one, 1-(4-chlorophenyl)-2-[(dimethylamino)methyl]prop-2-en-1-one
| Molecular Formula | C12H14ClNO |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.07639 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 108664-47-7 |
|---|---|
| SMILES | CN(C)CC(=C)C(=O)C1=CC=C(C=C1)Cl |
| InChIKey | IZUVKOFTWPUPCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Dimethylamino-2-(4-chlorobenzoyl)propene (CAS 108664-47-7), with molecular formula C12H14ClNO and molecular weight 223.08 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(dimethylamino)methyl]prop-2-en-1-one.
Chemical Property Profile of 3-Dimethylamino-2-(4-chlorobenzoyl)propene
Property Insights of 3-Dimethylamino-2-(4-chlorobenzoyl)propene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dimethylamino-2-(4-chlorobenzoyl)propene. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Dimethylamino-2-(4-chlorobenzoyl)propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dimethylamino-2-(4-chlorobenzoyl)propene 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 3-Dimethylamino-2-(4-chlorobenzoyl)propene?
The CAS number of 3-Dimethylamino-2-(4-chlorobenzoyl)propene is 108664-47-7.
What is the molecular formula of 3-Dimethylamino-2-(4-chlorobenzoyl)propene?
The molecular formula of 3-Dimethylamino-2-(4-chlorobenzoyl)propene is C12H14ClNO.
What is the molecular weight of 3-Dimethylamino-2-(4-chlorobenzoyl)propene?
The molecular weight of 3-Dimethylamino-2-(4-chlorobenzoyl)propene is 223.08 g/mol.
Where can I buy 3-Dimethylamino-2-(4-chlorobenzoyl)propene?
You can request a quote for 3-Dimethylamino-2-(4-chlorobenzoyl)propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dimethylamino-2-(4-chlorobenzoyl)propene?
Yes, KEHONG BIO provides custom synthesis services for 3-Dimethylamino-2-(4-chlorobenzoyl)propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.