Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide
TL;DR: Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide (CAS 61785-52-2) is a chemical compound with molecular formula C13H17N5O4 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3-oxido-4-(4-propylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium
Also Known As: Benzofurazan, 1-oxide, 4-(4-Propylpiperazinyl)-7-nitrobenzofuroxan, BENZOFURAZAN, 4-NITRO-7-(4-PROPYL-1-PIPERAZINYL)-, 1-OXIDE, 4-Nitro-7-(4-propyl-1-piperazinyl)benzofurazan 1-oxide, B-2766
| Molecular Formula | C13H17N5O4 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.12805 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 61785-52-2 |
|---|---|
| SMILES | CCCN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | YUXYRWBLHMZNFB-UHFFFAOYSA-N |
Product Overview
Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide (CAS 61785-52-2), with molecular formula C13H17N5O4 and molecular weight 307.13 g/mol. IUPAC: 7-nitro-3-oxido-4-(4-propylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide
Property Insights of Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide. Following Lipinski's Rule of Five, Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 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, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide?
The CAS number of Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide is 61785-52-2.
What is the molecular formula of Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide?
The molecular formula of Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide is C13H17N5O4.
What is the molecular weight of Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide?
The molecular weight of Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide is 307.13 g/mol.
Where can I buy Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide?
You can request a quote for Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 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, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzofurazan, 4-nitro-7-(4-propyl-1-piperazinyl)-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.