Columbamine
TL;DR: Columbamine (CAS 3621-36-1) is a chemical compound with molecular formula C20H20NO4+ and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Also Known As: Columbamine, columbmine, Columbamin, Columbamine iodide, Dehydroisocorypalmine
| Molecular Formula | C20H20NO4+ |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.13922 |
| Heavy Atoms | 25 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 3621-36-1 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC |
| InChIKey | YYFOFDHQVIODOQ-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Columbamine (CAS 3621-36-1), with molecular formula C20H20NO4+ and molecular weight 338.14 g/mol. IUPAC: 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol.
Chemical Property Profile of Columbamine
Property Insights of Columbamine
The XLogP value of 3.4 indicates that Columbamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Columbamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Columbamine has 1 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 Columbamine?
The CAS number of Columbamine is 3621-36-1.
What is the molecular formula of Columbamine?
The molecular formula of Columbamine is C20H20NO4+.
What is the molecular weight of Columbamine?
The molecular weight of Columbamine is 338.14 g/mol.
Where can I buy Columbamine?
You can request a quote for Columbamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Columbamine?
Yes, KEHONG BIO provides custom synthesis services for Columbamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.