Perfragilin B
TL;DR: Perfragilin B (CAS 146764-79-6) is a chemical compound with molecular formula C12H11NO3S2 and molecular weight 281.01804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione
Also Known As: Perfragilin B, 2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione, NCI60_023421, J1.871.866I, 2-Methyl-6,7-bis(methylthio)-3,5,8(2H)-isoquinolinetrione
Technical Specifications
| Molecular Formula | C12H11NO3S2 |
| Molecular Weight | 281.01804 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.01804 Da |
| Heavy Atoms | 18 |
| Complexity | 558.0 |
| SMILES | CN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)SC)SC |
| InChIKey | YCRBNFTXGDZHPI-UHFFFAOYSA-N |
Chemical Property Profile of Perfragilin B
Property Insights of Perfragilin B
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perfragilin B. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Perfragilin B. Following Lipinski's Rule of Five, Perfragilin B has 0 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 Perfragilin B?
The CAS number of Perfragilin B is 146764-79-6.
What is the molecular formula of Perfragilin B?
The molecular formula of Perfragilin B is C12H11NO3S2.
What is the molecular weight of Perfragilin B?
The molecular weight of Perfragilin B is 281.01804 g/mol.
Where can I buy Perfragilin B?
You can request a quote for Perfragilin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Perfragilin B?
Yes, CoreyChem provides custom synthesis services for Perfragilin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.