3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one
TL;DR: 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one (CAS 96604-89-6) 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.
3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one
Also Known As: 3-(dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one, (E)-3-(dimethylamino)-1-(4-pyridinyl)-2-buten-1-one, 3-(dimethylamino)-1-(4-pyridyl)but-2-en-1-one, 3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one, 2-Buten-1-one, 3-(dimethylamino)-1-(4-pyridinyl)-
| Molecular Formula | C11H14N2O |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | 1.7297 |
| 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 | 96604-89-6 |
|---|---|
| SMILES | CC(=CC(=O)C1=CC=NC=C1)N(C)C |
Product Overview
3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one (CAS 96604-89-6), with molecular formula C11H14N2O and molecular weight 190.11 g/mol. IUPAC: 3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one.
Chemical Property Profile of 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one
Property Insights of 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one
The XLogP value of 1.7297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one. With a topological polar surface area (TPSA) of 33.2 Ų, 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one 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 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one?
The CAS number of 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one is 96604-89-6.
What is the molecular formula of 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one?
The molecular formula of 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one is C11H14N2O.
What is the molecular weight of 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one?
The molecular weight of 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one is 190.11 g/mol.
Where can I buy 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one?
You can request a quote for 3-(Dimethylamino)-1-(pyridin-4-yl)but-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 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-(pyridin-4-yl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.