![8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one structure](/static/products/7237/7237-40-3.webp)
8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one
TL;DR: 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one (CAS 7237-40-3) is a chemical compound with molecular formula C27H44NO5+ and molecular weight 462.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one
Also Known As: 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one, 8-(6,8-Dihydroxy-1,8a-dimethyl-4-oxodecahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-7-oxododecahydro-2H-pyrido[1,2-b]isoquinolin-5-ium
| Molecular Formula | C27H44NO5+ |
|---|---|
| Molecular Weight | 462.32 g/mol |
| LogP | 1.0091 |
| Topological Polar Surface Area | 99.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 462.32196 |
| Heavy Atoms | 33 |
| Complexity | 814.33344 |
Chemical Identifiers
| CAS Number | 7237-40-3 |
|---|---|
| SMILES | CC1CCC2C(C3CCC(C(=O)C3(C[NH+]2C1)O)C4CC(=O)C5CC(CC(C5(C4C)C)O)O)C |
Product Overview
8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one (CAS 7237-40-3), with molecular formula C27H44NO5+ and molecular weight 462.32 g/mol. IUPAC: 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one.
Chemical Property Profile of 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one
Property Insights of 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one
The XLogP value of 1.0091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one. The TPSA of 99.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one. Following Lipinski's Rule of Five, 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one has 4 hydrogen bond donor(s) and 5 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 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one?
The CAS number of 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one is 7237-40-3.
What is the molecular formula of 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one?
The molecular formula of 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one is C27H44NO5+.
What is the molecular weight of 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one?
The molecular weight of 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one is 462.32 g/mol.
Where can I buy 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one?
You can request a quote for 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.