Stobadine
TL;DR: Stobadine (CAS 85202-17-1) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,9bS)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
Also Known As: Stobadine, Stobadin, (-)-stobadine, Dicarbine, (-)-stobadin
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 85202-17-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N[C@H]3[C@@H]2CN(CC3)C |
| InChIKey | CYJQCYXRNNCURD-DGCLKSJQSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Stobadine (CAS 85202-17-1), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: (4aR,9bS)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole.
Chemical Property Profile of Stobadine
Property Insights of Stobadine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stobadine. With a topological polar surface area (TPSA) of 15.3 Ų, Stobadine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stobadine 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 Stobadine?
The CAS number of Stobadine is 85202-17-1.
What is the molecular formula of Stobadine?
The molecular formula of Stobadine is C13H18N2.
What is the molecular weight of Stobadine?
The molecular weight of Stobadine is 202.15 g/mol.
Where can I buy Stobadine?
You can request a quote for Stobadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stobadine?
Yes, KEHONG BIO provides custom synthesis services for Stobadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.