RefChem:349969
TL;DR: RefChem:349969 (CAS 22309-31-5) is a chemical compound with molecular formula C20H24Cl3NO4S and molecular weight 479.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dichlorophenyl)sulfonylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1-(2-((3,4-dichlorophenyl)sulfonyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride, 1-[2-(3,4-dichlorophenyl)sulfonylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, ISOQUINOLINE, 1-(2-((3,4-DICHLOROPHENYL)SULFONYL)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-D, RefChem:349969
| Molecular Formula | C20H24Cl3NO4S |
|---|---|
| Molecular Weight | 479.05 g/mol |
| LogP | -0.01 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.04916 |
| Heavy Atoms | 29 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 22309-31-5 |
|---|---|
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CCS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)OC)OC.[Cl-] |
| InChIKey | PIPJYTWLYCSQFL-UHFFFAOYSA-N |
Product Overview
RefChem:349969 (CAS 22309-31-5), with molecular formula C20H24Cl3NO4S and molecular weight 479.05 g/mol. IUPAC: 1-[2-(3,4-dichlorophenyl)sulfonylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of RefChem:349969
Property Insights of RefChem:349969
The XLogP value of -0.01 indicates that RefChem:349969 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349969. Following Lipinski's Rule of Five, RefChem:349969 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:349969?
The CAS number of RefChem:349969 is 22309-31-5.
What is the molecular formula of RefChem:349969?
The molecular formula of RefChem:349969 is C20H24Cl3NO4S.
What is the molecular weight of RefChem:349969?
The molecular weight of RefChem:349969 is 479.05 g/mol.
Where can I buy RefChem:349969?
You can request a quote for RefChem:349969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349969?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.