3-(Dimethylamino)-1-phenyl-2-propen-1-one
TL;DR: 3-(Dimethylamino)-1-phenyl-2-propen-1-one (CAS 1131-80-2) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-phenylprop-2-en-1-one
Also Known As: 3-(dimethylamino)-1-phenyl-2-propen-1-one, 3-(dimethylamino)acrylophenone, 3-dimethylaminoacrylophenone, 2-Propen-1-one, 3-(dimethylamino)-1-phenyl-, 3-dimethylamino-1-phenyl-propenone
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 1131-80-2 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CC=CC=C1 |
| InChIKey | HUTKDPINCSJXAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)-1-phenyl-2-propen-1-one (CAS 1131-80-2), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 3-(dimethylamino)-1-phenylprop-2-en-1-one.
Chemical Property Profile of 3-(Dimethylamino)-1-phenyl-2-propen-1-one
Property Insights of 3-(Dimethylamino)-1-phenyl-2-propen-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-phenyl-2-propen-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 3-(Dimethylamino)-1-phenyl-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-phenyl-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 3-(Dimethylamino)-1-phenyl-2-propen-1-one?
The CAS number of 3-(Dimethylamino)-1-phenyl-2-propen-1-one is 1131-80-2.
What is the molecular formula of 3-(Dimethylamino)-1-phenyl-2-propen-1-one?
The molecular formula of 3-(Dimethylamino)-1-phenyl-2-propen-1-one is C11H13NO.
What is the molecular weight of 3-(Dimethylamino)-1-phenyl-2-propen-1-one?
The molecular weight of 3-(Dimethylamino)-1-phenyl-2-propen-1-one is 175.10 g/mol.
Where can I buy 3-(Dimethylamino)-1-phenyl-2-propen-1-one?
You can request a quote for 3-(Dimethylamino)-1-phenyl-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 3-(Dimethylamino)-1-phenyl-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-phenyl-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.