4-Amino-7-nitrobenzofurazan
TL;DR: 4-Amino-7-nitrobenzofurazan (CAS 55977-10-1) is a chemical compound with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: NBD-amine, 4-Amino-7-nitrobenzofurazan, 7-nitro-2,1,3-benzoxadiazol-4-amine, 4-Amino-7-nitrobenzofurazane, Cambendazole Impurity 1
| Molecular Formula | C6H4N4O3 |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.02834 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 55977-10-1 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])N |
| InChIKey | YXKOGLINWAPXPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-7-nitrobenzofurazan (CAS 55977-10-1), with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol. IUPAC: 4-nitro-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of 4-Amino-7-nitrobenzofurazan
Property Insights of 4-Amino-7-nitrobenzofurazan
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-7-nitrobenzofurazan. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-7-nitrobenzofurazan. Following Lipinski's Rule of Five, 4-Amino-7-nitrobenzofurazan has 1 hydrogen bond donor(s) and 6 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-Amino-7-nitrobenzofurazan?
The CAS number of 4-Amino-7-nitrobenzofurazan is 55977-10-1.
What is the molecular formula of 4-Amino-7-nitrobenzofurazan?
The molecular formula of 4-Amino-7-nitrobenzofurazan is C6H4N4O3.
What is the molecular weight of 4-Amino-7-nitrobenzofurazan?
The molecular weight of 4-Amino-7-nitrobenzofurazan is 180.03 g/mol.
Where can I buy 4-Amino-7-nitrobenzofurazan?
You can request a quote for 4-Amino-7-nitrobenzofurazan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-7-nitrobenzofurazan?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-7-nitrobenzofurazan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.