1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone
TL;DR: 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone (CAS 78504-61-7) is a chemical compound with molecular formula C11H14N2O and molecular weight 190.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-3-pyridin-4-ylbut-3-en-2-one
Also Known As: 4-(Dimethylamino)-3-(4-pyridyl)-3-buten-2-one, 4-(Dimethylamino)-3-(4-pyridinyl)-3-buten-2-one, 3-Buten-2-one,4-(dimethylamino)-3-(4-pyridinyl)-, 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone, 4-(DIMETHYLAMINO)-3-(PYRIDIN-4-YL)BUT-3-EN-2-ONE
| Molecular Formula | C11H14N2O |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | 1.5731 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.11061 |
| Heavy Atoms | 14 |
| Complexity | 341.56497 |
Chemical Identifiers
| CAS Number | 78504-61-7 |
|---|---|
| SMILES | CC(=O)C(=CN(C)C)C1=CC=NC=C1 |
Product Overview
1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone (CAS 78504-61-7), with molecular formula C11H14N2O and molecular weight 190.11 g/mol. IUPAC: 4-(dimethylamino)-3-pyridin-4-ylbut-3-en-2-one.
Chemical Property Profile of 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone
Property Insights of 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone
The XLogP value of 1.5731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone. With a topological polar surface area (TPSA) of 33.2 Ų, 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone has 0 hydrogen bond donor(s) and 3 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-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone?
The CAS number of 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone is 78504-61-7.
What is the molecular formula of 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone?
The molecular formula of 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone is C11H14N2O.
What is the molecular weight of 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone?
The molecular weight of 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone is 190.11 g/mol.
Where can I buy 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone?
You can request a quote for 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Pyridinyl)-2-(dimethylamino)ethenyl methyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.