4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one
TL;DR: 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one (CAS 103361-68-8) 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.
4-methyl-6-nitro-1,4-benzoxazin-3-one
Also Known As: 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one, 4-methyl-6-nitro-1,4-benzoxazin-3-one, 4-methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-nitro-, 4-methyl-6-nitro-4H-benzo[1,4]oxazin-3-one
Technical Specifications
| Molecular Formula | C9H8N2O4 |
| Molecular Weight | 208.0484 g/mol |
| XLogP | 0.9 |
| 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 | CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | XVUXEVROROOLKY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one
Property Insights of 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-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 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one?
The CAS number of 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one is 103361-68-8.
What is the molecular formula of 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one?
The molecular formula of 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one is C9H8N2O4.
What is the molecular weight of 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one?
The molecular weight of 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one is 208.0484 g/mol.
Where can I buy 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one?
You can request a quote for 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.