1-Acetyl-5-nitroindolin-2-one
TL;DR: 1-Acetyl-5-nitroindolin-2-one (CAS 114985-63-6) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetyl-5-nitro-3H-indol-2-one
Also Known As: 1-Acetyl-5-nitroindolin-2-one, 1-acetyl-5-nitro-3H-indol-2-one, 1-acetyl-5-nitro-indolinone, 1-acetyl-5-nitro-2-indolinone, 2460AA
Technical Specifications
| Molecular Formula | C10H8N2O4 |
| Molecular Weight | 220.0484 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.0484 Da |
| Heavy Atoms | 16 |
| Complexity | 349.0 |
| SMILES | CC(=O)N1C(=O)CC2=C1C=CC(=C2)[N+](=O)[O-] |
| InChIKey | NBFVFIMXPGSTOC-UHFFFAOYSA-N |
Chemical Property Profile of 1-Acetyl-5-nitroindolin-2-one
Property Insights of 1-Acetyl-5-nitroindolin-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-5-nitroindolin-2-one. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-5-nitroindolin-2-one. Following Lipinski's Rule of Five, 1-Acetyl-5-nitroindolin-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Acetyl-5-nitroindolin-2-one?
The CAS number of 1-Acetyl-5-nitroindolin-2-one is 114985-63-6.
What is the molecular formula of 1-Acetyl-5-nitroindolin-2-one?
The molecular formula of 1-Acetyl-5-nitroindolin-2-one is C10H8N2O4.
What is the molecular weight of 1-Acetyl-5-nitroindolin-2-one?
The molecular weight of 1-Acetyl-5-nitroindolin-2-one is 220.0484 g/mol.
Where can I buy 1-Acetyl-5-nitroindolin-2-one?
You can request a quote for 1-Acetyl-5-nitroindolin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Acetyl-5-nitroindolin-2-one?
Yes, CoreyChem provides custom synthesis services for 1-Acetyl-5-nitroindolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.