1-Methyl-1,2,3,6-tetrahydropyridine
TL;DR: 1-Methyl-1,2,3,6-tetrahydropyridine (CAS 694-55-3) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,6-dihydro-2H-pyridine
Also Known As: 1-Methyl-1,2,3,6-tetrahydropyridine, 1-methyl-3,6-dihydro-2H-pyridine, 1-Methyl-3-piperideine, 1,2,3,4-Tetrahydro-1-methylpyridine, Pyridine, 1,2,3,6-tetrahydro-1-methyl-
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 694-55-3 |
|---|---|
| SMILES | CN1CCC=CC1 |
| InChIKey | AUFIRGPROMANKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1,2,3,6-tetrahydropyridine (CAS 694-55-3), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: 1-methyl-3,6-dihydro-2H-pyridine.
Chemical Property Profile of 1-Methyl-1,2,3,6-tetrahydropyridine
Property Insights of 1-Methyl-1,2,3,6-tetrahydropyridine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1,2,3,6-tetrahydropyridine. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Methyl-1,2,3,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1,2,3,6-tetrahydropyridine 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-1,2,3,6-tetrahydropyridine?
The CAS number of 1-Methyl-1,2,3,6-tetrahydropyridine is 694-55-3.
What is the molecular formula of 1-Methyl-1,2,3,6-tetrahydropyridine?
The molecular formula of 1-Methyl-1,2,3,6-tetrahydropyridine is C6H11N.
What is the molecular weight of 1-Methyl-1,2,3,6-tetrahydropyridine?
The molecular weight of 1-Methyl-1,2,3,6-tetrahydropyridine is 97.09 g/mol.
Where can I buy 1-Methyl-1,2,3,6-tetrahydropyridine?
You can request a quote for 1-Methyl-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-Methyl-1,2,3,6-tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1,2,3,6-tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.