Caseadine
TL;DR: Caseadine (CAS 34413-12-2) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13aS)-2,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
Also Known As: Caseadine, Caseadin, (-)-Caseadine, (13aS)-2,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol, 13a.alpha.-Berbin-1-ol, 2,10,11-trimethoxy-
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 34413-12-2 |
|---|---|
| SMILES | COC1=C(C2=C(CCN3[C@H]2CC4=CC(=C(C=C4C3)OC)OC)C=C1)O |
| InChIKey | HXHKKYNHNQVAAX-HNNXBMFYSA-N |
Product Overview
Caseadine (CAS 34413-12-2), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: (13aS)-2,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol.
Chemical Property Profile of Caseadine
Property Insights of Caseadine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caseadine. With a topological polar surface area (TPSA) of 51.2 Ų, Caseadine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Caseadine has 1 hydrogen bond donor(s) and 5 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 Caseadine?
The CAS number of Caseadine is 34413-12-2.
What is the molecular formula of Caseadine?
The molecular formula of Caseadine is C20H23NO4.
What is the molecular weight of Caseadine?
The molecular weight of Caseadine is 341.16 g/mol.
Where can I buy Caseadine?
You can request a quote for Caseadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caseadine?
Yes, KEHONG BIO provides custom synthesis services for Caseadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.