N-Nitrosoanatabine
TL;DR: N-Nitrosoanatabine (CAS 71267-22-6) is a chemical compound with molecular formula C10H11N3O and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S)-1-nitroso-3,6-dihydro-2H-pyridin-2-yl]pyridine
Also Known As: N-Nitrosoanatabine, (S)-N-Nitroso Anatabine, N'-NITROSOANATABINE, N/'-Nitrosoanatabine, (R,S)-N-Nitrosoanatabine
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 71267-22-6 |
|---|---|
| SMILES | C1C=CCN([C@@H]1C2=CN=CC=C2)N=O |
| InChIKey | ZJOFAFWTOKDIFH-JTQLQIEISA-N |
Product Overview
N-Nitrosoanatabine (CAS 71267-22-6), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 3-[(2S)-1-nitroso-3,6-dihydro-2H-pyridin-2-yl]pyridine.
Chemical Property Profile of N-Nitrosoanatabine
Property Insights of N-Nitrosoanatabine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosoanatabine. With a topological polar surface area (TPSA) of 45.6 Ų, N-Nitrosoanatabine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitrosoanatabine has 0 hydrogen bond donor(s) and 4 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 N-Nitrosoanatabine?
The CAS number of N-Nitrosoanatabine is 71267-22-6.
What is the molecular formula of N-Nitrosoanatabine?
The molecular formula of N-Nitrosoanatabine is C10H11N3O.
What is the molecular weight of N-Nitrosoanatabine?
The molecular weight of N-Nitrosoanatabine is 189.09 g/mol.
Where can I buy N-Nitrosoanatabine?
You can request a quote for N-Nitrosoanatabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosoanatabine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosoanatabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.