(E)-alpha-Ethylidenepiperidine-1-acetaldehyde
TL;DR: (E)-alpha-Ethylidenepiperidine-1-acetaldehyde (CAS 52900-93-3) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylbut-2-enal
Also Known As: 2-Piperidino-2-butenal, 2-piperidin-1-ylbut-2-enal, E-2-Piperidino-2-butenal, 2-(piperidin-1-yl)but-2-enal, (E)-alpha-Ethylidenepiperidine-1-acetaldehyde
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 52900-93-3 |
|---|---|
| SMILES | CC=C(C=O)N1CCCCC1 |
| InChIKey | QATJQKZNFROBDS-UHFFFAOYSA-N |
Product Overview
(E)-alpha-Ethylidenepiperidine-1-acetaldehyde (CAS 52900-93-3), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 2-piperidin-1-ylbut-2-enal.
Chemical Property Profile of (E)-alpha-Ethylidenepiperidine-1-acetaldehyde
Property Insights of (E)-alpha-Ethylidenepiperidine-1-acetaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-alpha-Ethylidenepiperidine-1-acetaldehyde. With a topological polar surface area (TPSA) of 20.3 Ų, (E)-alpha-Ethylidenepiperidine-1-acetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-alpha-Ethylidenepiperidine-1-acetaldehyde 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)-alpha-Ethylidenepiperidine-1-acetaldehyde?
The CAS number of (E)-alpha-Ethylidenepiperidine-1-acetaldehyde is 52900-93-3.
What is the molecular formula of (E)-alpha-Ethylidenepiperidine-1-acetaldehyde?
The molecular formula of (E)-alpha-Ethylidenepiperidine-1-acetaldehyde is C9H15NO.
What is the molecular weight of (E)-alpha-Ethylidenepiperidine-1-acetaldehyde?
The molecular weight of (E)-alpha-Ethylidenepiperidine-1-acetaldehyde is 153.12 g/mol.
Where can I buy (E)-alpha-Ethylidenepiperidine-1-acetaldehyde?
You can request a quote for (E)-alpha-Ethylidenepiperidine-1-acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-alpha-Ethylidenepiperidine-1-acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for (E)-alpha-Ethylidenepiperidine-1-acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.