![9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one structure](/static/products/798/79861-55-5.png)
9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one
TL;DR: 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one (CAS 79861-55-5) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dimethoxy-3,3-dimethyl-4,6,7,11b,12,13-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one
Also Known As: 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one, 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquinolino[2,1-a]quinolin-1-one, 9,10-dimethoxy-3,3-dimethyl-4,6,7,11b,12,13-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.20 g/mol |
| LogP | 4.04 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 762.64984 |
Chemical Identifiers
| CAS Number | 79861-55-5 |
|---|---|
| SMILES | CC1(CC2=C(CCC3N2CCC4=CC(=C(C=C34)OC)OC)C(=O)C1)C |
Product Overview
9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one (CAS 79861-55-5), with molecular formula C21H27NO3 and molecular weight 341.20 g/mol. IUPAC: 9,10-dimethoxy-3,3-dimethyl-4,6,7,11b,12,13-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one.
Chemical Property Profile of 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one
Property Insights of 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one
The XLogP value of 4.04 indicates that 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one has 0 hydrogen bond donor(s) and 4 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 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one?
The CAS number of 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one is 79861-55-5.
What is the molecular formula of 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one?
The molecular formula of 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one is C21H27NO3.
What is the molecular weight of 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one?
The molecular weight of 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one is 341.20 g/mol.
Where can I buy 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one?
You can request a quote for 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.