QW6Xbk7FW2
TL;DR: QW6Xbk7FW2 (CAS 766464-02-2) is a chemical compound with molecular formula C19H18NO4+ and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolin-2-ium
Also Known As: 3-benzo[1,3]dioxol-5-yl-6,7-dimethoxy-2-methyl-isoquinoline, 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolin-2-ium, 3-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolinium, Isoquinolinium, 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-
| Molecular Formula | C19H18NO4+ |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.1236 |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 766464-02-2 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C=C1C3=CC4=C(C=C3)OCO4)OC)OC |
| InChIKey | LDBUGRMRPMPDIN-UHFFFAOYSA-N |
Product Overview
QW6Xbk7FW2 (CAS 766464-02-2), with molecular formula C19H18NO4+ and molecular weight 324.12 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolin-2-ium.
Chemical Property Profile of QW6Xbk7FW2
Property Insights of QW6Xbk7FW2
The XLogP value of 3.7 indicates that QW6Xbk7FW2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, QW6Xbk7FW2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, QW6Xbk7FW2 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 QW6Xbk7FW2?
The CAS number of QW6Xbk7FW2 is 766464-02-2.
What is the molecular formula of QW6Xbk7FW2?
The molecular formula of QW6Xbk7FW2 is C19H18NO4+.
What is the molecular weight of QW6Xbk7FW2?
The molecular weight of QW6Xbk7FW2 is 324.12 g/mol.
Where can I buy QW6Xbk7FW2?
You can request a quote for QW6Xbk7FW2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for QW6Xbk7FW2?
Yes, KEHONG BIO provides custom synthesis services for QW6Xbk7FW2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.