Papaveraldine
TL;DR: Papaveraldine (CAS 522-57-6) is a chemical compound with molecular formula C20H19NO5 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone
Also Known As: Papaveraldine, Xanthaline, Papaveraldin, Ketone, Xanthaline?
| Molecular Formula | C20H19NO5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.1263 |
| Heavy Atoms | 26 |
| Complexity | 473.0 |
| Melting Point | 210 °C |
Chemical Identifiers
| CAS Number | 522-57-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
| InChIKey | QJTBIAMBPGGIGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Papaveraldine (CAS 522-57-6), with molecular formula C20H19NO5 and molecular weight 353.13 g/mol. IUPAC: (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone.
Chemical Property Profile of Papaveraldine
Property Insights of Papaveraldine
The XLogP value of 3.7 indicates that Papaveraldine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Papaveraldine. Following Lipinski's Rule of Five, Papaveraldine has 0 hydrogen bond donor(s) and 6 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 Papaveraldine?
The CAS number of Papaveraldine is 522-57-6.
What is the molecular formula of Papaveraldine?
The molecular formula of Papaveraldine is C20H19NO5.
What is the molecular weight of Papaveraldine?
The molecular weight of Papaveraldine is 353.13 g/mol.
Where can I buy Papaveraldine?
You can request a quote for Papaveraldine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Papaveraldine?
Yes, KEHONG BIO provides custom synthesis services for Papaveraldine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.