Pseudocolumbamine
TL;DR: Pseudocolumbamine (CAS 64191-04-4) 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.
3,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Also Known As: Pseudocolumbamine, pseudocolumbamine trifluoroacetate, 3,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol, Dibenzo(a,g)quinolizinium, 5,6-dihydro-2-hydroxy-3,10,11-trimethoxy-, 5,6-Dihydro-2-hydroxy-3,10,11-trimethoxydibenzo[a,g]quinolizinium
| 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 | 64191-04-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC(=C(C=C4C=C23)OC)OC)O |
| InChIKey | VYHHIAOOSMWHKX-UHFFFAOYSA-O |
Product Overview
Pseudocolumbamine (CAS 64191-04-4), with molecular formula C20H20NO4+ and molecular weight 338.14 g/mol. IUPAC: 3,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol.
Chemical Property Profile of Pseudocolumbamine
Property Insights of Pseudocolumbamine
The XLogP value of 3.4 indicates that Pseudocolumbamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Pseudocolumbamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudocolumbamine 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 Pseudocolumbamine?
The CAS number of Pseudocolumbamine is 64191-04-4.
What is the molecular formula of Pseudocolumbamine?
The molecular formula of Pseudocolumbamine is C20H20NO4+.
What is the molecular weight of Pseudocolumbamine?
The molecular weight of Pseudocolumbamine is 338.14 g/mol.
Where can I buy Pseudocolumbamine?
You can request a quote for Pseudocolumbamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudocolumbamine?
Yes, KEHONG BIO provides custom synthesis services for Pseudocolumbamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.