RefChem:196899
TL;DR: RefChem:196899 (CAS 22309-29-1) is a chemical compound with molecular formula C20H25Cl2NO2S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 1-(2-((p-Chlorophenyl)thio)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline HCl, 1-(2-((4-Chlorophenyl)thio)ethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, Isoquinoline, 1-(2-((p-chlorophenyl)thio)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride, 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, 1-(2-((P-CHLOROPHENYL)THIO)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-
| Molecular Formula | C20H25Cl2NO2S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.0983 |
| Heavy Atoms | 26 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 22309-29-1 |
|---|---|
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CCSC3=CC=C(C=C3)Cl)OC)OC.[Cl-] |
| InChIKey | INGVJHIOFDAGIO-UHFFFAOYSA-N |
Product Overview
RefChem:196899 (CAS 22309-29-1), with molecular formula C20H25Cl2NO2S and molecular weight 413.10 g/mol. IUPAC: 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of RefChem:196899
Property Insights of RefChem:196899
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:196899. With a topological polar surface area (TPSA) of 48.2 Ų, RefChem:196899 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:196899 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 RefChem:196899?
The CAS number of RefChem:196899 is 22309-29-1.
What is the molecular formula of RefChem:196899?
The molecular formula of RefChem:196899 is C20H25Cl2NO2S.
What is the molecular weight of RefChem:196899?
The molecular weight of RefChem:196899 is 413.10 g/mol.
Where can I buy RefChem:196899?
You can request a quote for RefChem:196899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:196899?
Yes, KEHONG BIO provides custom synthesis services for RefChem:196899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.