N-亞硝基降菸鹼
TL;DR: N-亞硝基降菸鹼 (CAS 80508-23-2) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-亞硝基降菸鹼
3-(1-nitrosopyrrolidin-2-yl)pyridine
Also Known As: N'-Nitrosonornicotine, 3-(1-nitrosopyrrolidin-2-yl)pyridine, Nitrosonornicotine, N-NITROSONORNICOTINE, Nitrosonornikotin
| Molecular Formula | C9H11N3O |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.09021 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
| Melting Point | 47 °C |
Chemical Identifiers
| CAS Number | 80508-23-2 |
|---|---|
| SMILES | C1CC(N(C1)N=O)C2=CN=CC=C2 |
| InChIKey | XKABJYQDMJTNGQ-UHFFFAOYSA-N |
Product Overview
N-亞硝基降菸鹼 (CAS 80508-23-2), with molecular formula C9H11N3O and molecular weight 177.09 g/mol. IUPAC: 3-(1-nitrosopyrrolidin-2-yl)pyridine.
Chemical Property Profile of N-亞硝基降菸鹼
Property Insights of N-亞硝基降菸鹼
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-亞硝基降菸鹼. With a topological polar surface area (TPSA) of 45.6 Ų, N-亞硝基降菸鹼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-亞硝基降菸鹼 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-亞硝基降菸鹼?
The CAS number of N-亞硝基降菸鹼 is 80508-23-2.
What is the molecular formula of N-亞硝基降菸鹼?
The molecular formula of N-亞硝基降菸鹼 is C9H11N3O.
What is the molecular weight of N-亞硝基降菸鹼?
The molecular weight of N-亞硝基降菸鹼 is 177.09 g/mol.
Where can I buy N-亞硝基降菸鹼?
You can request a quote for N-亞硝基降菸鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-亞硝基降菸鹼?
Yes, KEHONG BIO provides custom synthesis services for N-亞硝基降菸鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.