Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-
TL;DR: Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro- (CAS 58131-52-5) is a chemical compound with molecular formula C11H13N5O3 and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Also Known As: 4-Nitro-7-(N-methylpiperazinyl)benzofurazan, 4-(4-Methyl-1-piperazinyl)-7-nitrobenzofurazan, BENZOFURAZAN, 4-(4-METHYL-1-PIPERAZINYL)-7-NITRO-, 4-(4-methylpiperazin-1-yl)-7-nitro-2,1,3-benzoxadiazole, 7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
| Molecular Formula | C11H13N5O3 |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.10184 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 58131-52-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | NKLHPLDRPGAXTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro- (CAS 58131-52-5), with molecular formula C11H13N5O3 and molecular weight 263.10 g/mol. IUPAC: 7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole.
Chemical Property Profile of Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-
Property Insights of Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-. Following Lipinski's Rule of Five, Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro- 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 Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-?
The CAS number of Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro- is 58131-52-5.
What is the molecular formula of Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-?
The molecular formula of Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro- is C11H13N5O3.
What is the molecular weight of Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-?
The molecular weight of Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro- is 263.10 g/mol.
Where can I buy Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-?
You can request a quote for Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.