2 -N-Demethyladiantifoline
TL;DR: 2 -N-Demethyladiantifoline (CAS 83348-50-9) 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.
(6aS)-9-[2-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Also Known As: 2 -N-Demethyladiantifoline, J2.466.457K, 4H-Dibenzo(de,g)quinoline, 9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-, (S-(R*,R*))-, (6aS)-9-(2-{[(1S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline, (6aS)-9-[4,5-Dimethoxy-2-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline-1-yl]methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline
| Molecular Formula | C41H48N2O9 |
|---|---|
| Molecular Weight | 712.34 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 712.336 |
| Heavy Atoms | 52 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 83348-50-9 |
|---|---|
| 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=C7CCN6)OC)OC)OC)OC |
| InChIKey | HGXKVOVCUXPUIW-VMPREFPWSA-N |
Product Overview
2 -N-Demethyladiantifoline (CAS 83348-50-9), with molecular formula C41H48N2O9 and molecular weight 712.34 g/mol. IUPAC: (6aS)-9-[2-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
Chemical Property Profile of 2 -N-Demethyladiantifoline
Property Insights of 2 -N-Demethyladiantifoline
The XLogP value of 6.2 indicates that 2 -N-Demethyladiantifoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2 -N-Demethyladiantifoline. Following Lipinski's Rule of Five, 2 -N-Demethyladiantifoline 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 2 -N-Demethyladiantifoline?
The CAS number of 2 -N-Demethyladiantifoline is 83348-50-9.
What is the molecular formula of 2 -N-Demethyladiantifoline?
The molecular formula of 2 -N-Demethyladiantifoline is C41H48N2O9.
What is the molecular weight of 2 -N-Demethyladiantifoline?
The molecular weight of 2 -N-Demethyladiantifoline is 712.34 g/mol.
Where can I buy 2 -N-Demethyladiantifoline?
You can request a quote for 2 -N-Demethyladiantifoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2 -N-Demethyladiantifoline?
Yes, KEHONG BIO provides custom synthesis services for 2 -N-Demethyladiantifoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.