BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-
TL;DR: BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)- (CAS 84802-78-8) is a chemical compound with molecular formula C12H9N5O6 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(4-aminophenyl)-4-nitro-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-6-ylidene]-dioxidoazanium
Also Known As: BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-, [7-(4-aminophenyl)-4-nitro-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-6-ylidene]-dioxidoazanium, [7-(4-aminophenyl)-6-dioxidoazaniumylidene-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-yl]-hydroxy-oxoazanium, [7-(4-aminophenyl)-6-nitro-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-ylidene]-dioxidoazanium, 7-(4-Aminophenyl)-4-nitro-N-oxido-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-6(1H)-imine N-oxide
| Molecular Formula | C12H9N5O6 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.0553 |
| Heavy Atoms | 23 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 84802-78-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C\2C3=C(NO[N+]3=O)C(=C/C2=[N+](/[O-])\[O-])[N+](=O)[O-])N |
| InChIKey | TYAOPXQOPUVLHO-UHFFFAOYSA-N |
Product Overview
BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)- (CAS 84802-78-8), with molecular formula C12H9N5O6 and molecular weight 319.06 g/mol. IUPAC: [7-(4-aminophenyl)-4-nitro-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-6-ylidene]-dioxidoazanium.
Chemical Property Profile of BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-
Property Insights of BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-. The TPSA of 159.0 Ų indicates high polarity, suggesting BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)- has 2 hydrogen bond donor(s) and 8 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 BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-?
The CAS number of BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)- is 84802-78-8.
What is the molecular formula of BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-?
The molecular formula of BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)- is C12H9N5O6.
What is the molecular weight of BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-?
The molecular weight of BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)- is 319.06 g/mol.
Where can I buy BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-?
You can request a quote for BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)-?
Yes, KEHONG BIO provides custom synthesis services for BENZENAMINE,4-(1,4-DIHYDRO-5,7-DINITRO-3-OXIDO-2,1,3-BENZOXADIAZOL-4-YL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.