Chitraline
TL;DR: Chitraline (CAS 77754-91-7) is a chemical compound with molecular formula C36H38N2O6 and molecular weight 594.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR)-9-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
Also Known As: Chitraline, O7 -Demethylpakistanine, J2.401.994B, 4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-(4-(((1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-, (6aR)-5,6,6a,7-Tetrahydro-2-methoxy-6-methyl-9-[4-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methylisoquinoline-1-yl]methyl]phenoxy]-4H-dibenzo[de,g]quinoline-1,10-diol
| Molecular Formula | C36H38N2O6 |
|---|---|
| Molecular Weight | 594.27 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 594.273 |
| Heavy Atoms | 44 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 77754-91-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=C(C=C43)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O)O)OC |
| InChIKey | BOIKIQGXBLVZFH-WUFINQPMSA-N |
Product Overview
Chitraline (CAS 77754-91-7), with molecular formula C36H38N2O6 and molecular weight 594.27 g/mol. IUPAC: (6aR)-9-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol.
Chemical Property Profile of Chitraline
Property Insights of Chitraline
The XLogP value of 5.8 indicates that Chitraline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Chitraline. Following Lipinski's Rule of Five, Chitraline has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chitraline?
The CAS number of Chitraline is 77754-91-7.
What is the molecular formula of Chitraline?
The molecular formula of Chitraline is C36H38N2O6.
What is the molecular weight of Chitraline?
The molecular weight of Chitraline is 594.27 g/mol.
Where can I buy Chitraline?
You can request a quote for Chitraline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chitraline?
Yes, KEHONG BIO provides custom synthesis services for Chitraline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.