2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-
TL;DR: 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)- (CAS 61773-30-6) is a chemical compound with molecular formula C13H8N4O5 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3-(4-nitrophenyl)-2H-1,2,4-benzoxadiazine
Also Known As: 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-, 7-nitro-3-(4-nitrophenyl)-2H-1,2,4-benzoxadiazine, 2H-1,2,4-Benzoxadiazine,7-nitro-3-(4-nitrophenyl), RefChem:267637
| Molecular Formula | C13H8N4O5 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 2.4783 |
| Topological Polar Surface Area | 119.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.04947 |
| Heavy Atoms | 22 |
| Complexity | 800.5778 |
Chemical Identifiers
| CAS Number | 61773-30-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])ON2)[N+](=O)[O-] |
Product Overview
2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)- (CAS 61773-30-6), with molecular formula C13H8N4O5 and molecular weight 300.05 g/mol. IUPAC: 7-nitro-3-(4-nitrophenyl)-2H-1,2,4-benzoxadiazine.
Chemical Property Profile of 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-
Property Insights of 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-
The XLogP value of 2.4783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-. The TPSA of 119.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)- has 1 hydrogen bond donor(s) and 7 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 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-?
The CAS number of 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)- is 61773-30-6.
What is the molecular formula of 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-?
The molecular formula of 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)- is C13H8N4O5.
What is the molecular weight of 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-?
The molecular weight of 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)- is 300.05 g/mol.
Where can I buy 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-?
You can request a quote for 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4-Benzoxadiazine, 7-nitro-3-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.