1-Propyl-1,2,3,6-tetrahydropyridine
TL;DR: 1-Propyl-1,2,3,6-tetrahydropyridine (CAS 53385-78-7) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propyl-3,6-dihydro-2H-pyridine
Also Known As: 1-propyl-1,2,3,6-tetrahydropyridine, 1-propyl-3,6-dihydro-2H-pyridine, 1-propyl-1,2,3,6-tetrahydro-pyridine, Pyridine,1,2,3,6-tetrahydro-1-propyl, Pyridine, 1,2,3,6-tetrahydro-1-propyl-
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 53385-78-7 |
|---|---|
| SMILES | CCCN1CCC=CC1 |
| InChIKey | JKNMIYYXZPLHJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propyl-1,2,3,6-tetrahydropyridine (CAS 53385-78-7), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: 1-propyl-3,6-dihydro-2H-pyridine.
Chemical Property Profile of 1-Propyl-1,2,3,6-tetrahydropyridine
Property Insights of 1-Propyl-1,2,3,6-tetrahydropyridine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propyl-1,2,3,6-tetrahydropyridine. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Propyl-1,2,3,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propyl-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-Propyl-1,2,3,6-tetrahydropyridine?
The CAS number of 1-Propyl-1,2,3,6-tetrahydropyridine is 53385-78-7.
What is the molecular formula of 1-Propyl-1,2,3,6-tetrahydropyridine?
The molecular formula of 1-Propyl-1,2,3,6-tetrahydropyridine is C8H15N.
What is the molecular weight of 1-Propyl-1,2,3,6-tetrahydropyridine?
The molecular weight of 1-Propyl-1,2,3,6-tetrahydropyridine is 125.12 g/mol.
Where can I buy 1-Propyl-1,2,3,6-tetrahydropyridine?
You can request a quote for 1-Propyl-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-Propyl-1,2,3,6-tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 1-Propyl-1,2,3,6-tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.