4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan
TL;DR: 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan (CAS 300359-23-3) is a chemical compound with molecular formula C6H6N4O5 and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dinitro-6,7-dihydro-5H-2,1,3-benzoxadiazole
Also Known As: 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan, BAS 00109907, NCI60_021972, 4,4-dinitro-6,7-dihydro-5H-2,1,3-benzoxadiazole, 4,4-Dinitro-4,5,6,7-tetrahydro-2,1,3-benzoxadiazole
| Molecular Formula | C6H6N4O5 |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.03381 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 300359-23-3 |
|---|---|
| SMILES | C1CC2=NON=C2C(C1)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CMWAVDQYGJPEML-UHFFFAOYSA-N |
Product Overview
4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan (CAS 300359-23-3), with molecular formula C6H6N4O5 and molecular weight 214.03 g/mol. IUPAC: 4,4-dinitro-6,7-dihydro-5H-2,1,3-benzoxadiazole.
Chemical Property Profile of 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan
Property Insights of 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan. Following Lipinski's Rule of Five, 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan 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 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan?
The CAS number of 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan is 300359-23-3.
What is the molecular formula of 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan?
The molecular formula of 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan is C6H6N4O5.
What is the molecular weight of 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan?
The molecular weight of 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan is 214.03 g/mol.
Where can I buy 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan?
You can request a quote for 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.