新烟草碱
TL;DR: 新烟草碱 (CAS 581-49-7) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新烟草碱
3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine
Also Known As: ANATABINE, (-)-Anatabine, (S)-(-)-ANATABINE, Nicotine EP Impurity A, Anatabine (dicitrate)
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| Boiling Point | 145.5 °C |
| Solubility | 1000 mg/mL |
Chemical Identifiers
| CAS Number | 581-49-7 |
|---|---|
| SMILES | C1C=CCN[C@@H]1C2=CN=CC=C2 |
| InChIKey | SOPPBXUYQGUQHE-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新烟草碱 (CAS 581-49-7), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine.
Chemical Property Profile of 新烟草碱
Property Insights of 新烟草碱
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新烟草碱. With a topological polar surface area (TPSA) of 24.9 Ų, 新烟草碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新烟草碱 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 新烟草碱?
The CAS number of 新烟草碱 is 581-49-7.
What is the molecular formula of 新烟草碱?
The molecular formula of 新烟草碱 is C10H12N2.
What is the molecular weight of 新烟草碱?
The molecular weight of 新烟草碱 is 160.10 g/mol.
Where can I buy 新烟草碱?
You can request a quote for 新烟草碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新烟草碱?
Yes, KEHONG BIO provides custom synthesis services for 新烟草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.