3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one
TL;DR: 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one (CAS 151480-73-8) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-6-nitro-4H-1,3-benzoxazin-2-one
Also Known As: 3,4-Dmnb, 3,4-Dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one, 3-methyl-6-nitro-4H-1,3-benzoxazin-2-one, 3-methyl-6-nitro-3,4-dihydro-2H-1,3-benzoxazin-2-one, J1.867.728H
Technical Specifications
| Molecular Formula | C9H8N2O4 |
| Molecular Weight | 208.0484 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.0484 Da |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
| SMILES | CN1CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O |
| InChIKey | ZXTGTRLWIRCGBB-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one
Property Insights of 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one. Following Lipinski's Rule of Five, 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-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 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one?
The CAS number of 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one is 151480-73-8.
What is the molecular formula of 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one?
The molecular formula of 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one is C9H8N2O4.
What is the molecular weight of 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one?
The molecular weight of 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one is 208.0484 g/mol.
Where can I buy 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one?
You can request a quote for 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one?
Yes, CoreyChem provides custom synthesis services for 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.