Demethylcotinine
TL;DR: Demethylcotinine (CAS 5980-06-3) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-5-pyridin-3-ylpyrrolidin-2-one
Also Known As: demethylcotinine, norcotinine, (R,S)-Norcotinine, (-)-DEMETHYLCOTININE, (5s)-5-(pyridin-3-yl)pyrrolidin-2-one
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 5980-06-3 |
|---|---|
| SMILES | C1CC(=O)N[C@@H]1C2=CN=CC=C2 |
| InChIKey | FXFANIORDKRCCA-QMMMGPOBSA-N |
Product Overview
Demethylcotinine (CAS 5980-06-3), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: (5S)-5-pyridin-3-ylpyrrolidin-2-one.
Chemical Property Profile of Demethylcotinine
Property Insights of Demethylcotinine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethylcotinine. With a topological polar surface area (TPSA) of 42.0 Ų, Demethylcotinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demethylcotinine has 1 hydrogen bond donor(s) and 2 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 Demethylcotinine?
The CAS number of Demethylcotinine is 5980-06-3.
What is the molecular formula of Demethylcotinine?
The molecular formula of Demethylcotinine is C9H10N2O.
What is the molecular weight of Demethylcotinine?
The molecular weight of Demethylcotinine is 162.08 g/mol.
Where can I buy Demethylcotinine?
You can request a quote for Demethylcotinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylcotinine?
Yes, KEHONG BIO provides custom synthesis services for Demethylcotinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.