Stobadine N-oxide
TL;DR: Stobadine N-oxide (CAS 108331-06-2) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,9bS)-2,8-dimethyl-2-oxido-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-ium
Also Known As: Stobadine N-oxide, C13N18N2O, (4aR,9bS)-2,8-dimethyl-2-oxido-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-ium, 1H-Pyrido(4,3-b)indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-, 2-oxide, cis-(-)-, 2,8-Dimethyl-2-oxo-2,3,4,4a,5,9b-hexahydro-1H-2lambda~5~-pyrido[4,3-b]indole
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 30.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 108331-06-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N[C@H]3[C@@H]2C[N+](CC3)(C)[O-] |
| InChIKey | CILOIHNRAMPSBZ-HNVBAWDGSA-N |
Product Overview
Stobadine N-oxide (CAS 108331-06-2), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: (4aR,9bS)-2,8-dimethyl-2-oxido-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-ium.
Chemical Property Profile of Stobadine N-oxide
Property Insights of Stobadine N-oxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stobadine N-oxide. With a topological polar surface area (TPSA) of 30.1 Ų, Stobadine N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stobadine N-oxide 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 N-oxide?
The CAS number of Stobadine N-oxide is 108331-06-2.
What is the molecular formula of Stobadine N-oxide?
The molecular formula of Stobadine N-oxide is C13H18N2O.
What is the molecular weight of Stobadine N-oxide?
The molecular weight of Stobadine N-oxide is 218.14 g/mol.
Where can I buy Stobadine N-oxide?
You can request a quote for Stobadine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stobadine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Stobadine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.