RefChem:268597
TL;DR: RefChem:268597 (CAS 18065-95-7) is a chemical compound with molecular formula C22H35ClN2O3S2 and molecular weight 474.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-9,10-dimethoxy-2,2-bis(methylsulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-3-carboxamide;hydrochloride
Also Known As: 2H-Benzo(a)quinolizine-3-carboxamide, 1,3,4,6,7,11b-hexahydro-2,2-bis(methylthio)-N,N-diethyl-9,10-dimethoxy-, hydrochloride, 2H-Benzo[a]quinolizine-3-carboxamide, N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-oxo-, 2-(dimethyl mercaptole), monohydrochloride, N,N-Diethyl-9,10-dimethoxy-2,2-bis(methylsulfanyl)-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-2,2-bis(methylsulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-3-carboxamide hydrochloride, RefChem:268597
| Molecular Formula | C22H35ClN2O3S2 |
|---|---|
| Molecular Weight | 474.18 g/mol |
| LogP | 4.3354 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.17776 |
| Heavy Atoms | 30 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 18065-95-7 |
|---|---|
| SMILES | CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1(SC)SC)OC)OC.Cl |
| InChIKey | ZFWJUISMYZNSAP-UHFFFAOYSA-N |
Product Overview
RefChem:268597 (CAS 18065-95-7), with molecular formula C22H35ClN2O3S2 and molecular weight 474.18 g/mol. IUPAC: N,N-diethyl-9,10-dimethoxy-2,2-bis(methylsulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-3-carboxamide;hydrochloride.
Chemical Property Profile of RefChem:268597
Property Insights of RefChem:268597
The XLogP value of 4.3354 indicates that RefChem:268597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268597. Following Lipinski's Rule of Five, RefChem:268597 has 1 hydrogen bond donor(s) and 6 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 RefChem:268597?
The CAS number of RefChem:268597 is 18065-95-7.
What is the molecular formula of RefChem:268597?
The molecular formula of RefChem:268597 is C22H35ClN2O3S2.
What is the molecular weight of RefChem:268597?
The molecular weight of RefChem:268597 is 474.18 g/mol.
Where can I buy RefChem:268597?
You can request a quote for RefChem:268597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268597?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.