7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium
TL;DR: 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium (CAS 53619-55-9) is a chemical compound with molecular formula C12H6N4O7S and molecular weight 350.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 7-nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium, 4-Nitro-7-(4-nitrobenzene-1-sulfinyl)-1-oxo-2,1lambda~5~,3-benzoxadiazole
| Molecular Formula | C12H6N4O7S |
|---|---|
| Molecular Weight | 350.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.99573 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 53619-55-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | GICGXFBYZSUYGL-UHFFFAOYSA-N |
Product Overview
7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium (CAS 53619-55-9), with molecular formula C12H6N4O7S and molecular weight 350.00 g/mol. IUPAC: 7-nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium
Property Insights of 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium. The TPSA of 179.0 Ų indicates high polarity, suggesting 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium has 0 hydrogen bond donor(s) and 9 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-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium?
The CAS number of 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium is 53619-55-9.
What is the molecular formula of 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium?
The molecular formula of 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium is C12H6N4O7S.
What is the molecular weight of 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium?
The molecular weight of 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium is 350.00 g/mol.
Where can I buy 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium?
You can request a quote for 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-4-(4-nitrophenyl)sulfinyl-3-oxido-2,1,3-benzoxadiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.