RefChem:219021
TL;DR: RefChem:219021 (CAS 20884-96-2) is a chemical compound with molecular formula C20H24ClNO4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-6-methyl-, hydrochloride, 6-methyl-5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-5-(p-(ISOPROPYLSULFONYL)PHENY, RefChem:219021
| Molecular Formula | C20H24ClNO4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | -1.24 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.11145 |
| Heavy Atoms | 27 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 20884-96-2 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC4=C(C=C3CC[NH+]2C)OCO4.[Cl-] |
| InChIKey | UVRFRNVXHPQSKC-UHFFFAOYSA-N |
Product Overview
RefChem:219021 (CAS 20884-96-2), with molecular formula C20H24ClNO4S and molecular weight 409.11 g/mol. IUPAC: 6-methyl-5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of RefChem:219021
Property Insights of RefChem:219021
The XLogP value of -1.24 indicates that RefChem:219021 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:219021. Following Lipinski's Rule of Five, RefChem:219021 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:219021?
The CAS number of RefChem:219021 is 20884-96-2.
What is the molecular formula of RefChem:219021?
The molecular formula of RefChem:219021 is C20H24ClNO4S.
What is the molecular weight of RefChem:219021?
The molecular weight of RefChem:219021 is 409.11 g/mol.
Where can I buy RefChem:219021?
You can request a quote for RefChem:219021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219021?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.