RefChem:349914
TL;DR: RefChem:349914 (CAS 20884-91-7) is a chemical compound with molecular formula C21H28ClNO4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-2-methyl-, hydrochloride, 1,2,3,4-Tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-2-methyl-isoquinoline HCl, 6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(p-(ISOPROPYLSULFONYL)PHENYL)-6,7-DIMETHOXY-2, RefChem:349914
| Molecular Formula | C21H28ClNO4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.14276 |
| Heavy Atoms | 28 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 20884-91-7 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH+]2C)OC)OC.[Cl-] |
| InChIKey | ZBIVDDQUOUICPJ-UHFFFAOYSA-N |
Product Overview
RefChem:349914 (CAS 20884-91-7), with molecular formula C21H28ClNO4S and molecular weight 425.14 g/mol. IUPAC: 6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of RefChem:349914
Property Insights of RefChem:349914
The XLogP value of -0.95 indicates that RefChem:349914 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:349914. Following Lipinski's Rule of Five, RefChem:349914 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:349914?
The CAS number of RefChem:349914 is 20884-91-7.
What is the molecular formula of RefChem:349914?
The molecular formula of RefChem:349914 is C21H28ClNO4S.
What is the molecular weight of RefChem:349914?
The molecular weight of RefChem:349914 is 425.14 g/mol.
Where can I buy RefChem:349914?
You can request a quote for RefChem:349914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349914?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.