4,5-二氢-3-硝基异噁唑-2-氧化物
TL;DR: 4,5-二氢-3-硝基异噁唑-2-氧化物 (CAS 4122-45-6) is a chemical compound with molecular formula C3H4N2O4 and molecular weight 132.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-二氢-3-硝基异噁唑-2-氧化物
3-nitro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium
Also Known As: 4,5-Dihydro-3-nitroisoxazole-2-oxide, 3-nitroisoxazoline N-oxide, 3-Nitro-2-isoxazoline 2-oxide, 3-Nitro-4,5-dihydroisoxazole 2-oxide, 3-nitro-4,5-dihydro-isoxazole 2-oxide
| Molecular Formula | C3H4N2O4 |
|---|---|
| Molecular Weight | 132.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.0171 |
| Heavy Atoms | 9 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 4122-45-6 |
|---|---|
| SMILES | C1CO[N+](=C1[N+](=O)[O-])[O-] |
| InChIKey | HNCSVNVXGSWPPY-UHFFFAOYSA-N |
Product Overview
4,5-二氢-3-硝基异噁唑-2-氧化物 (CAS 4122-45-6), with molecular formula C3H4N2O4 and molecular weight 132.02 g/mol. IUPAC: 3-nitro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium.
Chemical Property Profile of 4,5-二氢-3-硝基异噁唑-2-氧化物
Property Insights of 4,5-二氢-3-硝基异噁唑-2-氧化物
The XLogP value of -0.5 indicates that 4,5-二氢-3-硝基异噁唑-2-氧化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-二氢-3-硝基异噁唑-2-氧化物. Following Lipinski's Rule of Five, 4,5-二氢-3-硝基异噁唑-2-氧化物 has 0 hydrogen bond donor(s) and 4 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 4,5-二氢-3-硝基异噁唑-2-氧化物?
The CAS number of 4,5-二氢-3-硝基异噁唑-2-氧化物 is 4122-45-6.
What is the molecular formula of 4,5-二氢-3-硝基异噁唑-2-氧化物?
The molecular formula of 4,5-二氢-3-硝基异噁唑-2-氧化物 is C3H4N2O4.
What is the molecular weight of 4,5-二氢-3-硝基异噁唑-2-氧化物?
The molecular weight of 4,5-二氢-3-硝基异噁唑-2-氧化物 is 132.02 g/mol.
Where can I buy 4,5-二氢-3-硝基异噁唑-2-氧化物?
You can request a quote for 4,5-二氢-3-硝基异噁唑-2-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二氢-3-硝基异噁唑-2-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二氢-3-硝基异噁唑-2-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.