3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide
TL;DR: 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide (CAS 76016-69-8) is a chemical compound with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium
Also Known As: phenylnitrofuroxan, 3-nitro-4-phenyl-furazan 2-oxide, 3-Nitro-4-phenyl-furazan-2-oxide, 3-nitro-4-phenyl-1,2,5-oxadiazole 2-oxide, 3-nitro-4-phenyl-1,2,5-oxadiazol-2-ol
| Molecular Formula | C8H5N3O4 |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.028 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 76016-69-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NO[N+](=C2[N+](=O)[O-])[O-] |
| InChIKey | YCYGCMHATNZXJZ-UHFFFAOYSA-N |
Product Overview
3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide (CAS 76016-69-8), with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol. IUPAC: 3-nitro-2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium.
Chemical Property Profile of 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide
Property Insights of 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide. Following Lipinski's Rule of Five, 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide has 0 hydrogen bond donor(s) and 5 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 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide?
The CAS number of 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide is 76016-69-8.
What is the molecular formula of 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide?
The molecular formula of 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide is C8H5N3O4.
What is the molecular weight of 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide?
The molecular weight of 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide is 207.03 g/mol.
Where can I buy 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide?
You can request a quote for 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.