1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile
TL;DR: 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile (CAS 59894-95-0) is a chemical compound with molecular formula C20H26N2O3 and molecular weight 342.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(9,10-diethoxy-2-oxo-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-3-yl)propanenitrile
Also Known As: 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile, 2H-Benzo(a)quinolizine-3-propanenitrile, 1,3,4,6,7,11b-hexahydro-9,10-diethoxy-2-oxo-, 3-(9,10-diethoxy-2-oxo-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-3-yl)propanenitrile, 3-(9,10-Diethoxy-2-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl)propanenitrile
| Molecular Formula | C20H26N2O3 |
|---|---|
| Molecular Weight | 342.19 g/mol |
| LogP | 3.27598 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.19434 |
| Heavy Atoms | 25 |
| Complexity | 680.2542 |
Chemical Identifiers
| CAS Number | 59894-95-0 |
|---|---|
| SMILES | CCOC1=C(C=C2C3CC(=O)C(CN3CCC2=C1)CCC#N)OCC |
Product Overview
1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile (CAS 59894-95-0), with molecular formula C20H26N2O3 and molecular weight 342.19 g/mol. IUPAC: 3-(9,10-diethoxy-2-oxo-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-3-yl)propanenitrile.
Chemical Property Profile of 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile
Property Insights of 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile
The XLogP value of 3.27598 indicates that 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile. Following Lipinski's Rule of Five, 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile has 0 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 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile?
The CAS number of 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile is 59894-95-0.
What is the molecular formula of 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile?
The molecular formula of 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile is C20H26N2O3.
What is the molecular weight of 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile?
The molecular weight of 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile is 342.19 g/mol.
Where can I buy 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile?
You can request a quote for 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,6,7,11b-Hexahydro-9,10-diethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.