1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride
TL;DR: 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride (CAS 15288-34-3) is a chemical compound with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 6-Benzyl-4-methoxy-1,3-dioxolo(4,5-g)isoquinolinium chloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINIUM, 6-BENZYL-4-METHOXY-, CHLORIDE, 6-benzyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, (6-Benzyl-2H-[1,3]dioxolo[4,5-g]isoquinolin-4(6H)-ylidene)(methyl)oxidanium chloride, RefChem:219047
| Molecular Formula | C18H16ClNO3 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | -0.08 |
| Topological Polar Surface Area | 31.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.08188 |
| Heavy Atoms | 23 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 15288-34-3 |
|---|---|
| SMILES | COC1=C2C=[N+](C=CC2=CC3=C1OCO3)CC4=CC=CC=C4.[Cl-] |
| InChIKey | KRJMHMXFPVHCEJ-UHFFFAOYSA-M |
Product Overview
1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride (CAS 15288-34-3), with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol. IUPAC: 6-benzyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride
Property Insights of 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride
The XLogP value of -0.08 indicates that 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 31.6 Ų, 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride has 0 hydrogen bond donor(s) and 4 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 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride?
The CAS number of 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride is 15288-34-3.
What is the molecular formula of 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride?
The molecular formula of 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride is C18H16ClNO3.
What is the molecular weight of 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride?
The molecular weight of 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride is 329.08 g/mol.
Where can I buy 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride?
You can request a quote for 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolo(4,5-g)isoquinolinium, 6-benzyl-4-methoxy-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.