Stobadine dihydrochloride
TL;DR: Stobadine dihydrochloride (CAS 95751-51-2) is a chemical compound with molecular formula C13H20Cl2N2 and molecular weight 274.10 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;dihydrochloride
Also Known As: Stobadine, Stobadin, Stobadine dihydrochloride, Stobadin dihydrochloride, (-)-Stobadine dihydrochloride
| Molecular Formula | C13H20Cl2N2 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 3.05 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.10034 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 95751-51-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N[C@H]3[C@@H]2CN(CC3)C.Cl.Cl |
| InChIKey | XWLFAMANDIWUKH-IZUPTLQPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Stobadine dihydrochloride (CAS 95751-51-2), with molecular formula C13H20Cl2N2 and molecular weight 274.10 g/mol. IUPAC: (4aR,9bS)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;dihydrochloride.
Chemical Property Profile of Stobadine dihydrochloride
Property Insights of Stobadine dihydrochloride
The XLogP value of 3.05 indicates that Stobadine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, Stobadine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stobadine dihydrochloride has 3 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 dihydrochloride?
The CAS number of Stobadine dihydrochloride is 95751-51-2.
What is the molecular formula of Stobadine dihydrochloride?
The molecular formula of Stobadine dihydrochloride is C13H20Cl2N2.
What is the molecular weight of Stobadine dihydrochloride?
The molecular weight of Stobadine dihydrochloride is 274.10 g/mol.
Where can I buy Stobadine dihydrochloride?
You can request a quote for Stobadine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stobadine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Stobadine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.