Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate
TL;DR: Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate (CAS 61189-98-8) is a chemical compound with molecular formula C18H16ClNO5S and molecular weight 393.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium;methanesulfonate
Also Known As: 4-(p-Chlorobenzyl)-6,7-methylenedioxyisoquinoline methanesulfonate, ISOQUINOLINE, 4-(p-CHLOROBENZYL)-6,7-METHYLENEDIOXY-, METHANESULFONATE, 1,3-Dioxolo[4,5-g]isoquinoline, 8-[(4-chlorophenyl)methyl]-, methanesulfonate, 6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium; methanesulfonate, RefChem:350043
| Molecular Formula | C18H16ClNO5S |
|---|---|
| Molecular Weight | 393.04 g/mol |
| LogP | 2.79 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.04376 |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 61189-98-8 |
|---|---|
| SMILES | CS(=O)(=O)[O-].C1OC2=C(O1)C3=C(C=C2)C(=C[NH+]=C3)CC4=CC=C(C=C4)Cl |
| InChIKey | PNZNXJARASHLHK-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate (CAS 61189-98-8), with molecular formula C18H16ClNO5S and molecular weight 393.04 g/mol. IUPAC: 6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium;methanesulfonate.
Chemical Property Profile of Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate
Property Insights of Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate
The XLogP value of 2.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate. Following Lipinski's Rule of Five, Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate 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 Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate?
The CAS number of Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate is 61189-98-8.
What is the molecular formula of Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate?
The molecular formula of Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate is C18H16ClNO5S.
What is the molecular weight of Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate?
The molecular weight of Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate is 393.04 g/mol.
Where can I buy Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate?
You can request a quote for Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 4-(p-chlorobenzyl)-6,7-methylenedioxy-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.