Simulanoquinoline
TL;DR: Simulanoquinoline (CAS 155416-22-1) is a chemical compound with molecular formula C37H34N2O7 and molecular weight 618.2366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)methyl]-7-methoxy-2,6-dimethylpyrano[3,2-c]quinolin-5-one
Also Known As: Simulanoquinoline, J2.411.975K, 2-[(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)methyl]-7-methoxy-2,6-dimethylpyrano[3,2-c]quinolin-5-one, 2-({17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1,3,8,10,12,14,16,18-octaen-20-yl}methyl)-7-methoxy-2,6-dimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one, 2-[(12,13-Dihydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine-13-yl)methyl]-2,6-dihydro-7-methoxy-2,6-dimethyl-5H-pyrano[3,2-c]quinoline-5-one
Technical Specifications
| Molecular Formula | C37H34N2O7 |
| Molecular Weight | 618.2366 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 618.2366 Da |
| Heavy Atoms | 46 |
| Complexity | 1240.0 |
| SMILES | CC1(C=CC2=C(O1)C3=C(C(=CC=C3)OC)N(C2=O)C)CC4C5=C(C=CC(=C5OC)OC)C6=C(N4C)C7=CC8=C(C=C7C=C6)OCO8 |
| InChIKey | NUVWARFQHKLGOS-UHFFFAOYSA-N |
Chemical Property Profile of Simulanoquinoline
Property Insights of Simulanoquinoline
The XLogP value of 6.2 indicates that Simulanoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Simulanoquinoline. Following Lipinski's Rule of Five, Simulanoquinoline has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Simulanoquinoline?
The CAS number of Simulanoquinoline is 155416-22-1.
What is the molecular formula of Simulanoquinoline?
The molecular formula of Simulanoquinoline is C37H34N2O7.
What is the molecular weight of Simulanoquinoline?
The molecular weight of Simulanoquinoline is 618.2366 g/mol.
Where can I buy Simulanoquinoline?
You can request a quote for Simulanoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Simulanoquinoline?
Yes, CoreyChem provides custom synthesis services for Simulanoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.