1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl
TL;DR: 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl (CAS 18065-91-3) is a chemical compound with molecular formula C19H28ClNO2S and molecular weight 369.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-thione;hydrochloride
Also Known As: 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl, 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride, 2H-Benzo[a]quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-, hydrochloride, 9,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2-thione--hydrogen chloride (1/1), 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-thione hydrochloride
| Molecular Formula | C19H28ClNO2S |
|---|---|
| Molecular Weight | 369.15 g/mol |
| LogP | 4.4607 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.15292 |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 18065-91-3 |
|---|---|
| SMILES | CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=S)OC)OC.Cl |
| InChIKey | JNTUTMOGTRZWSY-UHFFFAOYSA-N |
Product Overview
1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl (CAS 18065-91-3), with molecular formula C19H28ClNO2S and molecular weight 369.15 g/mol. IUPAC: 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-thione;hydrochloride.
Chemical Property Profile of 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl
Property Insights of 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl
The XLogP value of 4.4607 indicates that 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl has 1 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 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl?
The CAS number of 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl is 18065-91-3.
What is the molecular formula of 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl?
The molecular formula of 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl is C19H28ClNO2S.
What is the molecular weight of 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl?
The molecular weight of 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl is 369.15 g/mol.
Where can I buy 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl?
You can request a quote for 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl 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-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.