RefChem:349968
TL;DR: RefChem:349968 (CAS 22336-78-3) is a chemical compound with molecular formula C20H24Cl3NO3S and molecular weight 463.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dichlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1-(2-((3,4-dichlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride, 1-[2-(3,4-dichlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, ISOQUINOLINE, 1-(2-((3,4-DICHLOROPHENYL)SULFINYL)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-D, RefChem:349968
| Molecular Formula | C20H24Cl3NO3S |
|---|---|
| Molecular Weight | 463.05 g/mol |
| LogP | 0.32 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.05426 |
| Heavy Atoms | 28 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 22336-78-3 |
|---|---|
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CCS(=O)C3=CC(=C(C=C3)Cl)Cl)OC)OC.[Cl-] |
| InChIKey | PKCGKEGIMFRBTG-UHFFFAOYSA-N |
Product Overview
RefChem:349968 (CAS 22336-78-3), with molecular formula C20H24Cl3NO3S and molecular weight 463.05 g/mol. IUPAC: 1-[2-(3,4-dichlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of RefChem:349968
Property Insights of RefChem:349968
The XLogP value of 0.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349968. With a topological polar surface area (TPSA) of 59.2 Ų, RefChem:349968 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349968 has 1 hydrogen bond donor(s) and 5 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:349968?
The CAS number of RefChem:349968 is 22336-78-3.
What is the molecular formula of RefChem:349968?
The molecular formula of RefChem:349968 is C20H24Cl3NO3S.
What is the molecular weight of RefChem:349968?
The molecular weight of RefChem:349968 is 463.05 g/mol.
Where can I buy RefChem:349968?
You can request a quote for RefChem:349968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349968?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.