2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride
TL;DR: 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride (CAS 18065-98-0) is a chemical compound with molecular formula C27H46ClNO3S2 and molecular weight 531.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dibutyl-9,10-dimethoxy-3-(2-methylpropyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one;hydrochloride
Also Known As: 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride, 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-, dibutyl mercaptole, hydrochloride, 6,7-dibutyl-9,10-dimethoxy-3-(2-methylpropyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one hydrochloride, 6,7-Dibutyl-9,10-dimethoxy-3-(2-methylpropyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,7a,11a,11b-octahydro-2H-pyrido[2,1-a]isoquinolin-2-one--hydrogen chloride (1/1), RefChem:268582
| Molecular Formula | C27H46ClNO3S2 |
|---|---|
| Molecular Weight | 531.26 g/mol |
| LogP | 6.5041 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 531.26074 |
| Heavy Atoms | 34 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 18065-98-0 |
|---|---|
| SMILES | CCCCC1C(N2CC(C(=O)CC2C3(C1(C=C(C(=C3)OC)OC)S)S)CC(C)C)CCCC.Cl |
| InChIKey | MFRNLPMKEAVLBB-UHFFFAOYSA-N |
Product Overview
2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride (CAS 18065-98-0), with molecular formula C27H46ClNO3S2 and molecular weight 531.26 g/mol. IUPAC: 6,7-dibutyl-9,10-dimethoxy-3-(2-methylpropyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one;hydrochloride.
Chemical Property Profile of 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride
Property Insights of 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride
The XLogP value of 6.5041 indicates that 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride?
The CAS number of 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride is 18065-98-0.
What is the molecular formula of 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride?
The molecular formula of 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride is C27H46ClNO3S2.
What is the molecular weight of 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride?
The molecular weight of 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride is 531.26 g/mol.
Where can I buy 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride?
You can request a quote for 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, 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, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-dibutylthio-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.