Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)-
TL;DR: Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)- (CAS 75195-76-5) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S)-1-nitrosopyrrolidin-2-yl]-1-oxidopyridin-1-ium
Also Known As: Nicotine impurity 16, N'-Nitrosonornicotine-N-oxide, N'-Nitrosonornicotine-1-N-oxide, 1-Azabicyclo(4.4.4)tetradecane, rac-N'-Nitrosonornicotine 1-N-Oxide
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 75195-76-5 |
|---|---|
| SMILES | C1C[C@H](N(C1)N=O)C2=C[N+](=CC=C2)[O-] |
| InChIKey | ZQELURDMDMQXQV-VIFPVBQESA-N |
Product Overview
Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)- (CAS 75195-76-5), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: 3-[(2S)-1-nitrosopyrrolidin-2-yl]-1-oxidopyridin-1-ium.
Chemical Property Profile of Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)-
Property Insights of Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)-. With a topological polar surface area (TPSA) of 58.1 Ų, Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)- 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 Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)-?
The CAS number of Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)- is 75195-76-5.
What is the molecular formula of Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)-?
The molecular formula of Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)- is C9H11N3O2.
What is the molecular weight of Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)-?
The molecular weight of Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)- is 193.09 g/mol.
Where can I buy Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)-?
You can request a quote for Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.