2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one
TL;DR: 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one (CAS 57584-95-9) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one
Also Known As: Acrylophenone derivitive, 2-Benzoyl-3-dimethylaminopropene, 2-(dimethylaminomethyl)-1-phenyl-prop-2-en-1-one, alpha-(Dimethylaminomethyl)acrylophenone, 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 57584-95-9 |
|---|---|
| SMILES | CN(C)CC(=C)C(=O)C1=CC=CC=C1 |
| InChIKey | AWGQYDRZMTZRRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one (CAS 57584-95-9), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one.
Chemical Property Profile of 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one
Property Insights of 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-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 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one?
The CAS number of 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one is 57584-95-9.
What is the molecular formula of 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one?
The molecular formula of 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one is C12H15NO.
What is the molecular weight of 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one?
The molecular weight of 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one is 189.12 g/mol.
Where can I buy 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one?
You can request a quote for 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylaminomethyl)-1-phenyl-prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.