(E)-1-pyridin-3-ylbut-2-en-1-one
TL;DR: (E)-1-pyridin-3-ylbut-2-en-1-one (CAS 80508-24-3) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-pyridin-3-ylbut-2-en-1-one
Also Known As: (E)-1-pyridin-3-ylbut-2-en-1-one, 1-(Pyridin-3-yl)but-2-en-1-one, 1-(3-pyridyl)-2-buten-1-one, 2-Buten-1-one,1-(3-pyridinyl)-,(E)-(9CI), (E)-1-(pyridin-3-yl)but-2-en-1-one
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.8404 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 264.15103 |
Chemical Identifiers
| CAS Number | 80508-24-3 |
|---|---|
| SMILES | C/C=C/C(=O)C1=CN=CC=C1 |
Product Overview
(E)-1-pyridin-3-ylbut-2-en-1-one (CAS 80508-24-3), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: (E)-1-pyridin-3-ylbut-2-en-1-one.
Chemical Property Profile of (E)-1-pyridin-3-ylbut-2-en-1-one
Property Insights of (E)-1-pyridin-3-ylbut-2-en-1-one
The XLogP value of 1.8404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-pyridin-3-ylbut-2-en-1-one. With a topological polar surface area (TPSA) of 29.96 Ų, (E)-1-pyridin-3-ylbut-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-pyridin-3-ylbut-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 (E)-1-pyridin-3-ylbut-2-en-1-one?
The CAS number of (E)-1-pyridin-3-ylbut-2-en-1-one is 80508-24-3.
What is the molecular formula of (E)-1-pyridin-3-ylbut-2-en-1-one?
The molecular formula of (E)-1-pyridin-3-ylbut-2-en-1-one is C9H9NO.
What is the molecular weight of (E)-1-pyridin-3-ylbut-2-en-1-one?
The molecular weight of (E)-1-pyridin-3-ylbut-2-en-1-one is 147.07 g/mol.
Where can I buy (E)-1-pyridin-3-ylbut-2-en-1-one?
You can request a quote for (E)-1-pyridin-3-ylbut-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 (E)-1-pyridin-3-ylbut-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-pyridin-3-ylbut-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.