Abc 99
TL;DR: Abc 99 (CAS 116763-36-1) is a chemical compound with molecular formula C11H14N4O2S2 and molecular weight 298.05582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(1,3-dithiolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: Nestifylline, Nestifilina, Nestifyllinum, Nestifylline [INN], Abc 99
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14N4O2S2 |
| Molecular Weight | 298.05582 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.05582 Da |
| Heavy Atoms | 19 |
| Complexity | 402.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3SCCS3 |
| InChIKey | HIQUBRAKVZRBRW-UHFFFAOYSA-N |
Chemical Property Profile of Abc 99
Property Insights of Abc 99
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abc 99. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Abc 99. Following Lipinski's Rule of Five, Abc 99 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 Abc 99?
The CAS number of Abc 99 is 116763-36-1.
What is the molecular formula of Abc 99?
The molecular formula of Abc 99 is C11H14N4O2S2.
What is the molecular weight of Abc 99?
The molecular weight of Abc 99 is 298.05582 g/mol.
Where can I buy Abc 99?
You can request a quote for Abc 99 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Abc 99?
Yes, CoreyChem provides custom synthesis services for Abc 99 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.