5-硝基-2-糠基硝酸酯
TL;DR: 5-硝基-2-糠基硝酸酯 (CAS 53488-88-3) is a chemical compound with molecular formula C5H4N2O6 and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基-2-糠基硝酸酯
(5-nitrofuran-2-yl)methyl nitrate
Also Known As: 5-Nitrofurfurylnitrate, (5-nitrofuran-2-yl)methyl nitrate, 5-Nitro-2-furfurylnitrate, 5-Nitro-2-furfuryl nitrate, 5-Nitro-furfurylnitrat
| Molecular Formula | C5H4N2O6 |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.00694 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 53488-88-3 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])CO[N+](=O)[O-] |
| InChIKey | IZUDEUAXDJRXOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-硝基-2-糠基硝酸酯 (CAS 53488-88-3), with molecular formula C5H4N2O6 and molecular weight 188.01 g/mol. IUPAC: (5-nitrofuran-2-yl)methyl nitrate.
Chemical Property Profile of 5-硝基-2-糠基硝酸酯
Property Insights of 5-硝基-2-糠基硝酸酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-硝基-2-糠基硝酸酯. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基-2-糠基硝酸酯. Following Lipinski's Rule of Five, 5-硝基-2-糠基硝酸酯 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 5-硝基-2-糠基硝酸酯?
The CAS number of 5-硝基-2-糠基硝酸酯 is 53488-88-3.
What is the molecular formula of 5-硝基-2-糠基硝酸酯?
The molecular formula of 5-硝基-2-糠基硝酸酯 is C5H4N2O6.
What is the molecular weight of 5-硝基-2-糠基硝酸酯?
The molecular weight of 5-硝基-2-糠基硝酸酯 is 188.01 g/mol.
Where can I buy 5-硝基-2-糠基硝酸酯?
You can request a quote for 5-硝基-2-糠基硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-硝基-2-糠基硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基-2-糠基硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.