4,7-Dinitro-2,1,3-benzothiadiazole
TL;DR: 4,7-Dinitro-2,1,3-benzothiadiazole (CAS 16408-05-2) is a chemical compound with molecular formula C6H2N4O4S and molecular weight 225.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dinitro-2,1,3-benzothiadiazole
Also Known As: 4,7-dinitro-2,1,3-benzothiadiazole
| Molecular Formula | C6H2N4O4S |
|---|---|
| Molecular Weight | 225.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.97968 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 16408-05-2 |
|---|---|
| SMILES | C1=C(C2=NSN=C2C(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ALUQGDUUNXNHKC-UHFFFAOYSA-N |
Product Overview
4,7-Dinitro-2,1,3-benzothiadiazole (CAS 16408-05-2), with molecular formula C6H2N4O4S and molecular weight 225.98 g/mol. IUPAC: 4,7-dinitro-2,1,3-benzothiadiazole.
Chemical Property Profile of 4,7-Dinitro-2,1,3-benzothiadiazole
Property Insights of 4,7-Dinitro-2,1,3-benzothiadiazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dinitro-2,1,3-benzothiadiazole. The TPSA of 146.0 Ų indicates high polarity, suggesting 4,7-Dinitro-2,1,3-benzothiadiazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,7-Dinitro-2,1,3-benzothiadiazole has 0 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 4,7-Dinitro-2,1,3-benzothiadiazole?
The CAS number of 4,7-Dinitro-2,1,3-benzothiadiazole is 16408-05-2.
What is the molecular formula of 4,7-Dinitro-2,1,3-benzothiadiazole?
The molecular formula of 4,7-Dinitro-2,1,3-benzothiadiazole is C6H2N4O4S.
What is the molecular weight of 4,7-Dinitro-2,1,3-benzothiadiazole?
The molecular weight of 4,7-Dinitro-2,1,3-benzothiadiazole is 225.98 g/mol.
Where can I buy 4,7-Dinitro-2,1,3-benzothiadiazole?
You can request a quote for 4,7-Dinitro-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Dinitro-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dinitro-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.