2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride
TL;DR: 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride (CAS 18065-92-4) is a chemical compound with molecular formula C20H29ClN2O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-9,10-dimethoxy-2-sulfanylidene-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-3-carboxamide;hydrochloride
Also Known As: 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride, 2H-Benzo[a]quinolizine-3-carboxamide, N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-thioxo-, monohydrochloride, N,N-Diethyl-9,10-dimethoxy-2-sulfanylidene-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carboxamide--hydrogen chloride (1/1), N,N-diethyl-9,10-dimethoxy-2-sulfanylidene-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-3-carboxamide hydrochloride, RefChem:268594
| Molecular Formula | C20H29ClN2O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 3.283 |
| Topological Polar Surface Area | 74.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.15875 |
| Heavy Atoms | 27 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 18065-92-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1=S)OC)OC.Cl |
| InChIKey | ZGYCKTYWHNZPIJ-UHFFFAOYSA-N |
Product Overview
2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride (CAS 18065-92-4), with molecular formula C20H29ClN2O3S and molecular weight 412.16 g/mol. IUPAC: N,N-diethyl-9,10-dimethoxy-2-sulfanylidene-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-3-carboxamide;hydrochloride.
Chemical Property Profile of 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride
Property Insights of 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride
The XLogP value of 3.283 indicates that 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride. Following Lipinski's Rule of Five, 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride has 1 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 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride?
The CAS number of 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride is 18065-92-4.
What is the molecular formula of 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride?
The molecular formula of 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride is C20H29ClN2O3S.
What is the molecular weight of 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride?
The molecular weight of 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride is 412.16 g/mol.
Where can I buy 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride?
You can request a quote for 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-(N,N-diethylaminocarbonyl)-9,10-dimethoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.