7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide
TL;DR: 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide (CAS 18378-11-5) 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.
4-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 4-nitro-7-methylbenzofuroxan, 7-methyl-4-nitrobenzofuroxan, 4-Nitro-7-methylbenzofurazane 1-oxide, J1.165.436C, 7-methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide
| Molecular Formula | C7H5N3O4 |
|---|---|
| Molecular Weight | 195.03 g/mol |
| LogP | 0.67782 |
| Topological Polar Surface Area | 96.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.028 |
| Heavy Atoms | 14 |
| Complexity | 518.8744 |
Chemical Identifiers
| CAS Number | 18378-11-5 |
|---|---|
| SMILES | CC1=CC=C(C2=NO[N+](=C12)[O-])[N+](=O)[O-] |
Product Overview
7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide (CAS 18378-11-5), with molecular formula C7H5N3O4 and molecular weight 195.03 g/mol. IUPAC: 4-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide
Property Insights of 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide
The XLogP value of 0.67782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide. The TPSA of 96.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide. Following Lipinski's Rule of Five, 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-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 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide?
The CAS number of 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide is 18378-11-5.
What is the molecular formula of 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide?
The molecular formula of 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide is C7H5N3O4.
What is the molecular weight of 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide?
The molecular weight of 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide is 195.03 g/mol.
Where can I buy 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide?
You can request a quote for 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-4-nitro-2,1,3-benzoxadiazole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.