1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl
TL;DR: 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl (CAS 2539-49-3) is a chemical compound with molecular formula C20H24Cl3NO2S and molecular weight 447.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dichlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
Also Known As: 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl, Isoquinoline, 1,2,3,4-tetrahydro-1-(2-((3,4-dichlorophenyl)thio)ethyl)-6,7-dimethoxyl-2-methyl-, hydrochloride, 1-{2-[(3,4-dichlorophenyl)sulfanyl]ethyl}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride(1:1), 1-[2-(3,4-dichlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline hydrochloride, 1-[2-(3,4-dichlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline,hydrochloride
| Molecular Formula | C20H24Cl3NO2S |
|---|---|
| Molecular Weight | 447.06 g/mol |
| LogP | 6.1438 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.05933 |
| Heavy Atoms | 27 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 2539-49-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2C1CCSC3=CC(=C(C=C3)Cl)Cl)OC)OC.Cl |
| InChIKey | SVQRFJLJHWRLPV-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl (CAS 2539-49-3), with molecular formula C20H24Cl3NO2S and molecular weight 447.06 g/mol. IUPAC: 1-[2-(3,4-dichlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.
Chemical Property Profile of 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl
Property Insights of 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl
The XLogP value of 6.1438 indicates that 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.0 Ų, 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl?
The CAS number of 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl is 2539-49-3.
What is the molecular formula of 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl?
The molecular formula of 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl is C20H24Cl3NO2S.
What is the molecular weight of 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl?
The molecular weight of 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl is 447.06 g/mol.
Where can I buy 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl?
You can request a quote for 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline 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-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.