5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate
TL;DR: 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate (CAS 1346604-22-5) is a chemical compound with molecular formula C11H13NO9 and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy-(5-acetyloxy-2-nitro-2H-furan-5-yl)methyl] acetate
Also Known As: Nifuratel Impurity 36, 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate, 2,5-Dihydro-2-hydroxy-5-nitro-2-furanmethanediol Triacetate, [acetyloxy-(5-acetyloxy-2-nitro-2H-furan-5-yl)methyl] acetate, 2-acetoxy-2-diacetoxymethyl-5-nitro-2,5-dihydrofuran
| Molecular Formula | C11H13NO9 |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.05902 |
| Heavy Atoms | 21 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 1346604-22-5 |
|---|---|
| SMILES | CC(=O)OC(C1(C=CC(O1)[N+](=O)[O-])OC(=O)C)OC(=O)C |
| InChIKey | OQQARHHKPBGAGA-UHFFFAOYSA-N |
Product Overview
5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate (CAS 1346604-22-5), with molecular formula C11H13NO9 and molecular weight 303.06 g/mol. IUPAC: [acetyloxy-(5-acetyloxy-2-nitro-2H-furan-5-yl)methyl] acetate.
Chemical Property Profile of 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate
Property Insights of 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate. Following Lipinski's Rule of Five, 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate has 0 hydrogen bond donor(s) and 9 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-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate?
The CAS number of 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate is 1346604-22-5.
What is the molecular formula of 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate?
The molecular formula of 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate is C11H13NO9.
What is the molecular weight of 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate?
The molecular weight of 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate is 303.06 g/mol.
Where can I buy 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate?
You can request a quote for 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-acetoxy-2,5-dihydrofurfural diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.