RefChem:219051
TL;DR: RefChem:219051 (CAS 5584-82-7) is a chemical compound with molecular formula C22H23ClN2O7 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-(4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol chloride
Also Known As: 1,3-Dioxolo(4,5-g)isoquinolinium, 7,8-dihydro-6-(7,8-dihydro-5-hydroxy-4-methoxy-1,3-dioxolo(4,5-g)isoquinolin-6(5H)-yl)-4-methoxy-, chloride, 4-methoxy-6-(4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol chloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINIUM, 7,8-DIHYDRO-6-(7,8-DIHYDRO-5-HYDROXY-4-METHOXY, 2,5,2',5'-tetraphenyl-1,2,2',4'-tetrahydro-4,4'-methanylylidene-bis-pyrazol-3-one, (5'-Hydroxy-4'-methoxy-7,7',8,8'-tetrahydro-2H,2'H,4H,5'H-[6,6'-bi[1,3]dioxolo[4,5-g]isoquinolin]-4-ylidene)(methyl)oxidanium chloride
| Molecular Formula | C22H23ClN2O7 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | -1.38 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.1194 |
| Heavy Atoms | 32 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 5584-82-7 |
|---|---|
| SMILES | COC1=C2C=[N+](CCC2=CC3=C1OCO3)N4CCC5=CC6=C(C(=C5C4O)OC)OCO6.[Cl-] |
| InChIKey | LGUAZQBWNNOEBF-UHFFFAOYSA-M |
Product Overview
RefChem:219051 (CAS 5584-82-7), with molecular formula C22H23ClN2O7 and molecular weight 462.12 g/mol. IUPAC: 4-methoxy-6-(4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol chloride.
Chemical Property Profile of RefChem:219051
Property Insights of RefChem:219051
The XLogP value of -1.38 indicates that RefChem:219051 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:219051. Following Lipinski's Rule of Five, RefChem:219051 has 1 hydrogen bond donor(s) and 9 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:219051?
The CAS number of RefChem:219051 is 5584-82-7.
What is the molecular formula of RefChem:219051?
The molecular formula of RefChem:219051 is C22H23ClN2O7.
What is the molecular weight of RefChem:219051?
The molecular weight of RefChem:219051 is 462.12 g/mol.
Where can I buy RefChem:219051?
You can request a quote for RefChem:219051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219051?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.