Benzofurazan, 5-methyl-4-nitro-, 3-oxide
TL;DR: Benzofurazan, 5-methyl-4-nitro-, 3-oxide (CAS 4176-49-2) is a chemical compound with molecular formula C7H5N3O4 and molecular weight 195.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: Benzofurazan, 3-oxide, 5-Methyl-4-nitrobenzofuroxan, Benzofurazan, 5-methyl-4-nitro-, 3-oxide, 6-Methyl-7-nitrobenzofurazane 1-oxide, 6-methyl-7-nitro-2,1,3-benzoxadiazole 1-oxide
| Molecular Formula | C7H5N3O4 |
|---|---|
| Molecular Weight | 195.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.028 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 4176-49-2 |
|---|---|
| SMILES | CC1=C(C2=[N+](ON=C2C=C1)[O-])[N+](=O)[O-] |
| InChIKey | FJRSZBYLNYRVFB-UHFFFAOYSA-N |
Product Overview
Benzofurazan, 5-methyl-4-nitro-, 3-oxide (CAS 4176-49-2), with molecular formula C7H5N3O4 and molecular weight 195.03 g/mol. IUPAC: 5-methyl-4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of Benzofurazan, 5-methyl-4-nitro-, 3-oxide
Property Insights of Benzofurazan, 5-methyl-4-nitro-, 3-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofurazan, 5-methyl-4-nitro-, 3-oxide. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofurazan, 5-methyl-4-nitro-, 3-oxide. Following Lipinski's Rule of Five, Benzofurazan, 5-methyl-4-nitro-, 3-oxide 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
Frequently Asked Questions
What is the CAS number of Benzofurazan, 5-methyl-4-nitro-, 3-oxide?
The CAS number of Benzofurazan, 5-methyl-4-nitro-, 3-oxide is 4176-49-2.
What is the molecular formula of Benzofurazan, 5-methyl-4-nitro-, 3-oxide?
The molecular formula of Benzofurazan, 5-methyl-4-nitro-, 3-oxide is C7H5N3O4.
What is the molecular weight of Benzofurazan, 5-methyl-4-nitro-, 3-oxide?
The molecular weight of Benzofurazan, 5-methyl-4-nitro-, 3-oxide is 195.03 g/mol.
Where can I buy Benzofurazan, 5-methyl-4-nitro-, 3-oxide?
You can request a quote for Benzofurazan, 5-methyl-4-nitro-, 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofurazan, 5-methyl-4-nitro-, 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzofurazan, 5-methyl-4-nitro-, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.