![1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium structure](/static/products/4712/471289-96-0.webp)
1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium
TL;DR: 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium (CAS 471289-96-0) is a chemical compound with molecular formula C10H12NO+ and molecular weight 162.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(1-methylpyridin-1-ium-4-yl)but-3-en-2-one
Also Known As: 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium, 1-Methyl-4-(3-oxobut-1-en-1-yl)pyridin-1-ium, (E)-4-(1-methylpyridin-1-ium-4-yl)but-3-en-2-one, 1-METHYL-4-[(1E)-3-OXOBUT-1-EN-1-YL]PYRIDIN-1-IUM
| Molecular Formula | C10H12NO+ |
|---|---|
| Molecular Weight | 162.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 21.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.09189 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 471289-96-0 |
|---|---|
| SMILES | CC(=O)/C=C/C1=CC=[N+](C=C1)C |
| InChIKey | DNMJWEQCAUPUMK-ONEGZZNKSA-N |
Product Overview
1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium (CAS 471289-96-0), with molecular formula C10H12NO+ and molecular weight 162.09 g/mol. IUPAC: (E)-4-(1-methylpyridin-1-ium-4-yl)but-3-en-2-one.
Chemical Property Profile of 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium
Property Insights of 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium. With a topological polar surface area (TPSA) of 21.0 Ų, 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium has 0 hydrogen bond donor(s) and 1 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-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium?
The CAS number of 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium is 471289-96-0.
What is the molecular formula of 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium?
The molecular formula of 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium is C10H12NO+.
What is the molecular weight of 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium?
The molecular weight of 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium is 162.09 g/mol.
Where can I buy 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium?
You can request a quote for 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.