1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one
TL;DR: 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one (CAS 162712-09-6) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,7-trimethyl-5-nitro-1H-indol-2-one
Also Known As: 3,3,7-trimethyl-5-nitro-1H-indol-2-one, 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one, 3,3,7-Trimethyl-5-nitro-1,3-dihydro-2H-indol-2-one
Technical Specifications
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.0848 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.0848 Da |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
| SMILES | CC1=CC(=CC2=C1NC(=O)C2(C)C)[N+](=O)[O-] |
| InChIKey | FNKHQBKSZXMEEQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one
Property Insights of 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one. Following Lipinski's Rule of Five, 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one?
The CAS number of 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one is 162712-09-6.
What is the molecular formula of 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one?
The molecular formula of 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one is C11H12N2O3.
What is the molecular weight of 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one?
The molecular weight of 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one is 220.0848 g/mol.
Where can I buy 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one?
You can request a quote for 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one?
Yes, CoreyChem provides custom synthesis services for 1,3-Dihydro-3,3,7-trimethyl-5-nitro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.