Perfragilin A
TL;DR: Perfragilin A (CAS 151221-94-2) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04121 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-amino-2-methyl-6-methylsulfanylisoquinoline-3,5,8-trione
Also Known As: Perfragilin A, octadeca-6,12,14-trienoic acid, 7-amino-2-methyl-6-methylsulfanylisoquinoline-3,5,8-trione, J1.271.006B, 3,5,8(2H)-Isoquinolinetrione, 7-amino-2-methyl-6-(methylthio)-
Technical Specifications
| Molecular Formula | C11H10N2O3S |
| Molecular Weight | 250.04121 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.04121 Da |
| Heavy Atoms | 17 |
| Complexity | 543.0 |
| SMILES | CN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)N)SC |
| InChIKey | ODKVUEQLYLYTFC-UHFFFAOYSA-N |
Chemical Property Profile of Perfragilin A
Property Insights of Perfragilin A
The XLogP value of -0.4 indicates that Perfragilin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Perfragilin A. Following Lipinski's Rule of Five, Perfragilin A 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 Perfragilin A?
The CAS number of Perfragilin A is 151221-94-2.
What is the molecular formula of Perfragilin A?
The molecular formula of Perfragilin A is C11H10N2O3S.
What is the molecular weight of Perfragilin A?
The molecular weight of Perfragilin A is 250.04121 g/mol.
Where can I buy Perfragilin A?
You can request a quote for Perfragilin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Perfragilin A?
Yes, CoreyChem provides custom synthesis services for Perfragilin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.