Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide
TL;DR: Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide (CAS 61785-57-7) is a chemical compound with molecular formula C8H6N4O4 and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aziridin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: Benzofurazan, 3-oxide, 4-Ethylenimino-7-nitrobenzofuroxan, 4-(1-Aziridinyl)-7-nitrobenzofurazan 3-oxide, BENZOFURAZAN, 4-(1-AZIRIDINYL)-7-NITRO-, 3-OXIDE, 4-(1-Aziridinyl)-7-nitrobenzofurazane 3-oxide
| Molecular Formula | C8H6N4O4 |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.03891 |
| Heavy Atoms | 16 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 61785-57-7 |
|---|---|
| SMILES | C1CN1C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | XGWKBJXIRHXEBK-UHFFFAOYSA-N |
Product Overview
Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide (CAS 61785-57-7), with molecular formula C8H6N4O4 and molecular weight 222.04 g/mol. IUPAC: 4-(aziridin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide
Property Insights of Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide. Following Lipinski's Rule of Five, Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide has 0 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 Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide?
The CAS number of Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide is 61785-57-7.
What is the molecular formula of Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide?
The molecular formula of Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide is C8H6N4O4.
What is the molecular weight of Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide?
The molecular weight of Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide is 222.04 g/mol.
Where can I buy Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide?
You can request a quote for Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-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-(1-aziridinyl)-7-nitro-, 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzofurazan, 4-(1-aziridinyl)-7-nitro-, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.