7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole
TL;DR: 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole (CAS 53619-70-8) is a chemical compound with molecular formula C12H6N4O6S and molecular weight 334.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole
Also Known As: 7-nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole, 4-Nitro-7-(4-nitrobenzene-1-sulfinyl)-2,1,3-benzoxadiazole
| Molecular Formula | C12H6N4O6S |
|---|---|
| Molecular Weight | 334.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.0008 |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 53619-70-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | OGEZWEDIFPIDFY-UHFFFAOYSA-N |
Product Overview
7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole (CAS 53619-70-8), with molecular formula C12H6N4O6S and molecular weight 334.00 g/mol. IUPAC: 7-nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole.
Chemical Property Profile of 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole
Property Insights of 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole. The TPSA of 167.0 Ų indicates high polarity, suggesting 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole 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-2,1,3-benzoxadiazole?
The CAS number of 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole is 53619-70-8.
What is the molecular formula of 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole?
The molecular formula of 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole is C12H6N4O6S.
What is the molecular weight of 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole?
The molecular weight of 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole is 334.00 g/mol.
Where can I buy 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole?
You can request a quote for 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole 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-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.