1,2,3,6-Tetrahydropyridine
TL;DR: 1,2,3,6-Tetrahydropyridine (CAS 694-05-3) is a chemical compound with molecular formula C5H9N and molecular weight 83.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,6-tetrahydropyridine
Also Known As: 1,2,3,6-Tetrahydropyridine, 3-piperideine, delta3-Piperidine, delta3Piperidine, Delta(3)-piperideine
| Molecular Formula | C5H9N |
|---|---|
| Molecular Weight | 83.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 83.0735 |
| Heavy Atoms | 6 |
| Complexity | 57.0 |
| Melting Point | -48 °C |
| Boiling Point | 108 °C @760 [mm Hg] |
| Density | 0.911 @25 °C |
| Flash Point | 43 °C |
Chemical Identifiers
| CAS Number | 694-05-3 |
|---|---|
| SMILES | C1CNCC=C1 |
| InChIKey | FTAHXMZRJCZXDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6-Tetrahydropyridine (CAS 694-05-3), with molecular formula C5H9N and molecular weight 83.07 g/mol. IUPAC: 1,2,3,6-tetrahydropyridine.
Chemical Property Profile of 1,2,3,6-Tetrahydropyridine
Property Insights of 1,2,3,6-Tetrahydropyridine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,6-Tetrahydropyridine. With a topological polar surface area (TPSA) of 12.0 Ų, 1,2,3,6-Tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydropyridine has 1 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 1,2,3,6-Tetrahydropyridine?
The CAS number of 1,2,3,6-Tetrahydropyridine is 694-05-3.
What is the molecular formula of 1,2,3,6-Tetrahydropyridine?
The molecular formula of 1,2,3,6-Tetrahydropyridine is C5H9N.
What is the molecular weight of 1,2,3,6-Tetrahydropyridine?
The molecular weight of 1,2,3,6-Tetrahydropyridine is 83.07 g/mol.
Where can I buy 1,2,3,6-Tetrahydropyridine?
You can request a quote for 1,2,3,6-Tetrahydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-Tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.