1,2,3,6-Tetrahydro-1-nitrosopyridine
TL;DR: 1,2,3,6-Tetrahydro-1-nitrosopyridine (CAS 55556-92-8) is a chemical compound with molecular formula C5H8N2O and molecular weight 112.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-3,6-dihydro-2H-pyridine
Also Known As: N-Nitroso-1,2,3,6-tetrahydropyridine, 1-Nitroso-1,2,3,6-tetrahydropyridine, 1,2,3,6-Tetrahydro-1-nitrosopyridine, 1-nitroso-3,6-dihydro-2H-pyridine, Nitroso-1,2,3,6-tetrahydropyridine
| Molecular Formula | C5H8N2O |
|---|---|
| Molecular Weight | 112.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.06366 |
| Heavy Atoms | 8 |
| Complexity | 111.0 |
| Vapor Pressure | 0.1 [mmHg] |
Chemical Identifiers
| CAS Number | 55556-92-8 |
|---|---|
| SMILES | C1CN(CC=C1)N=O |
| InChIKey | KIUHZRUPPGAVPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6-Tetrahydro-1-nitrosopyridine (CAS 55556-92-8), with molecular formula C5H8N2O and molecular weight 112.06 g/mol. IUPAC: 1-nitroso-3,6-dihydro-2H-pyridine.
Chemical Property Profile of 1,2,3,6-Tetrahydro-1-nitrosopyridine
Property Insights of 1,2,3,6-Tetrahydro-1-nitrosopyridine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,6-Tetrahydro-1-nitrosopyridine. With a topological polar surface area (TPSA) of 32.7 Ų, 1,2,3,6-Tetrahydro-1-nitrosopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydro-1-nitrosopyridine has 0 hydrogen bond donor(s) and 3 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-Tetrahydro-1-nitrosopyridine?
The CAS number of 1,2,3,6-Tetrahydro-1-nitrosopyridine is 55556-92-8.
What is the molecular formula of 1,2,3,6-Tetrahydro-1-nitrosopyridine?
The molecular formula of 1,2,3,6-Tetrahydro-1-nitrosopyridine is C5H8N2O.
What is the molecular weight of 1,2,3,6-Tetrahydro-1-nitrosopyridine?
The molecular weight of 1,2,3,6-Tetrahydro-1-nitrosopyridine is 112.06 g/mol.
Where can I buy 1,2,3,6-Tetrahydro-1-nitrosopyridine?
You can request a quote for 1,2,3,6-Tetrahydro-1-nitrosopyridine 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-Tetrahydro-1-nitrosopyridine?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetrahydro-1-nitrosopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.