Thaliadanine
TL;DR: Thaliadanine (CAS 31199-54-9) is a chemical compound with molecular formula C41H48N2O9 and molecular weight 712.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[[2-[[(6aS)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Also Known As: Thaliadanine, O-Demethyladiantifoline, O7 -Demethyladiantifoline, J2.466.453H, 7-Isoquinolinol,1-[[4,5-dimethoxy-2-[[(6as)-5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolin-9-yl]oxy]phenyl]methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methyl-,(1S)-
| Molecular Formula | C41H48N2O9 |
|---|---|
| Molecular Weight | 712.34 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 712.336 |
| Heavy Atoms | 52 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 31199-54-9 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC |
| InChIKey | HSYATSIKOGRUDZ-VMPREFPWSA-N |
Product Overview
Thaliadanine (CAS 31199-54-9), with molecular formula C41H48N2O9 and molecular weight 712.34 g/mol. IUPAC: (1S)-1-[[2-[[(6aS)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
Chemical Property Profile of Thaliadanine
Property Insights of Thaliadanine
The XLogP value of 6.3 indicates that Thaliadanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thaliadanine. Following Lipinski's Rule of Five, Thaliadanine has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thaliadanine?
The CAS number of Thaliadanine is 31199-54-9.
What is the molecular formula of Thaliadanine?
The molecular formula of Thaliadanine is C41H48N2O9.
What is the molecular weight of Thaliadanine?
The molecular weight of Thaliadanine is 712.34 g/mol.
Where can I buy Thaliadanine?
You can request a quote for Thaliadanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thaliadanine?
Yes, KEHONG BIO provides custom synthesis services for Thaliadanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.