RefChem:219031
TL;DR: RefChem:219031 (CAS 20232-93-3) is a chemical compound with molecular formula C30H42Cl2N2O4 and molecular weight 564.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-6-[8-(7-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)octyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium dichloride
Also Known As: 6,6'-Octamethylenebis(5,6,7,8-tetrahydro-7-methyl-1,3-dioxolo(4,5-g)isoquinoline) 2HCl, 1,3-Dioxolo(4,5-g)isoquinoline, 6,6'-octamethylenebis(5,6,7,8-tetrahydro-7-methyl-, dihydrochloride, 7-methyl-6-[8-(7-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)octyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium dichloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 6,6'-OCTAMETHYLENEBIS(5,6,7,8-TETRAHYDRO-7-METHY, RefChem:219031
| Molecular Formula | C30H42Cl2N2O4 |
|---|---|
| Molecular Weight | 564.25 g/mol |
| LogP | -3.15 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 564.25214 |
| Heavy Atoms | 38 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 20232-93-3 |
|---|---|
| SMILES | CC1CC2=CC3=C(C=C2C[NH+]1CCCCCCCC[NH+]4CC5=CC6=C(C=C5CC4C)OCO6)OCO3.[Cl-].[Cl-] |
| InChIKey | RNDYAIQSJTWMLG-UHFFFAOYSA-N |
Product Overview
RefChem:219031 (CAS 20232-93-3), with molecular formula C30H42Cl2N2O4 and molecular weight 564.25 g/mol. IUPAC: 7-methyl-6-[8-(7-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)octyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium dichloride.
Chemical Property Profile of RefChem:219031
Property Insights of RefChem:219031
The XLogP value of -3.15 indicates that RefChem:219031 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.8 Ų, RefChem:219031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:219031 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:219031?
The CAS number of RefChem:219031 is 20232-93-3.
What is the molecular formula of RefChem:219031?
The molecular formula of RefChem:219031 is C30H42Cl2N2O4.
What is the molecular weight of RefChem:219031?
The molecular weight of RefChem:219031 is 564.25 g/mol.
Where can I buy RefChem:219031?
You can request a quote for RefChem:219031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219031?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.