Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide
TL;DR: Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide (CAS 61785-84-0) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: Benzofurazan, 1-oxide, 7-(Benzylpiperazinyl)-4-nitrobenzofuroxan, 7-(4-Benzyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide, BENZOFURAZAN, 7-(4-BENZYL-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE, Benzylpiperazinyl)-4-nitrobenzofuroxan, 7-(
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 61785-84-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-] |
| InChIKey | HXSYYCOFWSTFAE-UHFFFAOYSA-N |
Product Overview
Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide (CAS 61785-84-0), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: 4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide
Property Insights of Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide. Following Lipinski's Rule of Five, Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide 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, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide?
The CAS number of Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide is 61785-84-0.
What is the molecular formula of Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide?
The molecular formula of Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide is C17H17N5O4.
What is the molecular weight of Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide?
The molecular weight of Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide is 355.13 g/mol.
Where can I buy Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide?
You can request a quote for Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.