5-Methyl-4-nitro-2,1,3-benzoxadiazole
TL;DR: 5-Methyl-4-nitro-2,1,3-benzoxadiazole (CAS 16322-21-7) is a chemical compound with molecular formula C7H5N3O3 and molecular weight 179.0331 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-4-nitro-2,1,3-benzoxadiazole
Also Known As: 5-Methyl-4-nitro-2,1,3-benzoxadiazole, 5-Methyl-4-nitrobenzofurazane, Benzofurazan, 5-methyl-4-nitro-, BAS 00413402, 5-Methyl-4-nitro-benzo[1,2,5]oxadiazole
Technical Specifications
| Molecular Formula | C7H5N3O3 |
| Molecular Weight | 179.0331 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0331 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | CC1=C(C2=NON=C2C=C1)[N+](=O)[O-] |
| InChIKey | HSDQSCXWSVWMQN-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-4-nitro-2,1,3-benzoxadiazole
Property Insights of 5-Methyl-4-nitro-2,1,3-benzoxadiazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4-nitro-2,1,3-benzoxadiazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-4-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 5-Methyl-4-nitro-2,1,3-benzoxadiazole 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 5-Methyl-4-nitro-2,1,3-benzoxadiazole?
The CAS number of 5-Methyl-4-nitro-2,1,3-benzoxadiazole is 16322-21-7.
What is the molecular formula of 5-Methyl-4-nitro-2,1,3-benzoxadiazole?
The molecular formula of 5-Methyl-4-nitro-2,1,3-benzoxadiazole is C7H5N3O3.
What is the molecular weight of 5-Methyl-4-nitro-2,1,3-benzoxadiazole?
The molecular weight of 5-Methyl-4-nitro-2,1,3-benzoxadiazole is 179.0331 g/mol.
Where can I buy 5-Methyl-4-nitro-2,1,3-benzoxadiazole?
You can request a quote for 5-Methyl-4-nitro-2,1,3-benzoxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-4-nitro-2,1,3-benzoxadiazole?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-4-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.