Bocconoline
TL;DR: Bocconoline (CAS 1322007-90-8) is a chemical compound with molecular formula C22H21NO5 and molecular weight 379.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)methanol
Also Known As: Bocconoline, (1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)methanol, (1,2-dimethoxy-12-methyl-13H-(1,3)benzodioxolo(5,6-c)phenanthridin-13-yl)methanol, 12,13-Dihydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine-13-methanol, (1,2-Dimethoxy-12-methyl-12,13-dihydro-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)methanol
Technical Specifications
| Molecular Formula | C22H21NO5 |
| Molecular Weight | 379.14197 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.14197 Da |
| Heavy Atoms | 28 |
| Complexity | 561.0 |
| SMILES | CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)CO |
| InChIKey | GKBDCSXIKLSKMH-UHFFFAOYSA-N |
Chemical Property Profile of Bocconoline
Property Insights of Bocconoline
The XLogP value of 3.6 indicates that Bocconoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bocconoline. Following Lipinski's Rule of Five, Bocconoline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bocconoline?
The CAS number of Bocconoline is 1322007-90-8.
What is the molecular formula of Bocconoline?
The molecular formula of Bocconoline is C22H21NO5.
What is the molecular weight of Bocconoline?
The molecular weight of Bocconoline is 379.14197 g/mol.
Where can I buy Bocconoline?
You can request a quote for Bocconoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bocconoline?
Yes, CoreyChem provides custom synthesis services for Bocconoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.