Dehydrodiscretine
TL;DR: Dehydrodiscretine (CAS 75491-93-9) 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.
2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Also Known As: Dehydrodiscretine, 3-Hydroxy-2,10,11-trimethoxyberbinium chloride, Dibenzo(a,g)quinolizinium, 5,6-dihydro-3-hydroxy-2,10,11-trimethoxy-, Phenol, reaction products with triethanolamine, 2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
| 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 | 75491-93-9 |
|---|---|
| SMILES | COC1=C(C=C2C=[N+]3CCC4=CC(=C(C=C4C3=CC2=C1)OC)O)OC |
| InChIKey | YKOWIGFWFQCIKO-UHFFFAOYSA-O |
Product Overview
Dehydrodiscretine (CAS 75491-93-9), with molecular formula C20H20NO4+ and molecular weight 338.14 g/mol. IUPAC: 2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol.
Chemical Property Profile of Dehydrodiscretine
Property Insights of Dehydrodiscretine
The XLogP value of 3.4 indicates that Dehydrodiscretine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Dehydrodiscretine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydrodiscretine 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 Dehydrodiscretine?
The CAS number of Dehydrodiscretine is 75491-93-9.
What is the molecular formula of Dehydrodiscretine?
The molecular formula of Dehydrodiscretine is C20H20NO4+.
What is the molecular weight of Dehydrodiscretine?
The molecular weight of Dehydrodiscretine is 338.14 g/mol.
Where can I buy Dehydrodiscretine?
You can request a quote for Dehydrodiscretine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrodiscretine?
Yes, KEHONG BIO provides custom synthesis services for Dehydrodiscretine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.