trans-3-(3-Pyridyl)acrolein
TL;DR: trans-3-(3-Pyridyl)acrolein (CAS 28847-15-6) is a chemical compound with molecular formula C8H7NO and molecular weight 133.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-pyridin-3-ylprop-2-enal
Also Known As: 3-(3-pyridyl)acrolein, 3-Pyridineacrolein, TRANS-3-(3-PYRIDYL)ACROLEIN, (E)-3-(Pyridin-3-yl)acrylaldehyde, Pyridine-3-propenal
| Molecular Formula | C8H7NO |
|---|---|
| Molecular Weight | 133.05 g/mol |
| LogP | 1.2937 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.05276 |
| Heavy Atoms | 10 |
| Complexity | 228.27272 |
Chemical Identifiers
| CAS Number | 28847-15-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C/C=O |
Product Overview
trans-3-(3-Pyridyl)acrolein (CAS 28847-15-6), with molecular formula C8H7NO and molecular weight 133.05 g/mol. IUPAC: (E)-3-pyridin-3-ylprop-2-enal.
Chemical Property Profile of trans-3-(3-Pyridyl)acrolein
Property Insights of trans-3-(3-Pyridyl)acrolein
The XLogP value of 1.2937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-3-(3-Pyridyl)acrolein. With a topological polar surface area (TPSA) of 29.96 Ų, trans-3-(3-Pyridyl)acrolein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-3-(3-Pyridyl)acrolein 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 trans-3-(3-Pyridyl)acrolein?
The CAS number of trans-3-(3-Pyridyl)acrolein is 28847-15-6.
What is the molecular formula of trans-3-(3-Pyridyl)acrolein?
The molecular formula of trans-3-(3-Pyridyl)acrolein is C8H7NO.
What is the molecular weight of trans-3-(3-Pyridyl)acrolein?
The molecular weight of trans-3-(3-Pyridyl)acrolein is 133.05 g/mol.
Where can I buy trans-3-(3-Pyridyl)acrolein?
You can request a quote for trans-3-(3-Pyridyl)acrolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-3-(3-Pyridyl)acrolein?
Yes, KEHONG BIO provides custom synthesis services for trans-3-(3-Pyridyl)acrolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.