Pareirubrine B
TL;DR: Pareirubrine B (CAS 152845-78-8) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one
Also Known As: Pareirubrine B, J1.839.576B, 9-Hydroxy-5,6-dimethoxy-10H-azuleno(1,2,3-ij)isoquinolin-10-one, 5-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one, 5,6-Dimethoxy-1H-azuleno[1,2,3-ij]isoquinoline-9,10-dione
Technical Specifications
| Molecular Formula | C18H13NO4 |
| Molecular Weight | 307.08447 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.08447 Da |
| Heavy Atoms | 23 |
| Complexity | 621.0 |
| SMILES | COC1=C(C2=C3C(=C1)C=CN=C3C4=CC(=O)C(=CC=C42)O)OC |
| InChIKey | PIHFTDWSUXZRDI-UHFFFAOYSA-N |
Chemical Property Profile of Pareirubrine B
Property Insights of Pareirubrine B
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pareirubrine B. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pareirubrine B. Following Lipinski's Rule of Five, Pareirubrine B has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pareirubrine B?
The CAS number of Pareirubrine B is 152845-78-8.
What is the molecular formula of Pareirubrine B?
The molecular formula of Pareirubrine B is C18H13NO4.
What is the molecular weight of Pareirubrine B?
The molecular weight of Pareirubrine B is 307.08447 g/mol.
Where can I buy Pareirubrine B?
You can request a quote for Pareirubrine B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pareirubrine B?
Yes, CoreyChem provides custom synthesis services for Pareirubrine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.