5-Nitrofurfuryl acetate
TL;DR: 5-Nitrofurfuryl acetate (CAS 5407-68-1) is a chemical compound with molecular formula C7H7NO5 and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitrofuran-2-yl)methyl acetate
Also Known As: 5-Nitrofurfuryl acetate, Nifuratel Impurity 16, Nifuratel Impurity 17, (5-nitrofuran-2-yl)methyl acetate, 5-Nitrofurfuryl=acetate
| Molecular Formula | C7H7NO5 |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.03242 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 5407-68-1 |
|---|---|
| SMILES | CC(=O)OCC1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | PCMLAOQXILPCIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitrofurfuryl acetate (CAS 5407-68-1), with molecular formula C7H7NO5 and molecular weight 185.03 g/mol. IUPAC: (5-nitrofuran-2-yl)methyl acetate.
Chemical Property Profile of 5-Nitrofurfuryl acetate
Property Insights of 5-Nitrofurfuryl acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrofurfuryl acetate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrofurfuryl acetate. Following Lipinski's Rule of Five, 5-Nitrofurfuryl acetate 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 5-Nitrofurfuryl acetate?
The CAS number of 5-Nitrofurfuryl acetate is 5407-68-1.
What is the molecular formula of 5-Nitrofurfuryl acetate?
The molecular formula of 5-Nitrofurfuryl acetate is C7H7NO5.
What is the molecular weight of 5-Nitrofurfuryl acetate?
The molecular weight of 5-Nitrofurfuryl acetate is 185.03 g/mol.
Where can I buy 5-Nitrofurfuryl acetate?
You can request a quote for 5-Nitrofurfuryl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrofurfuryl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrofurfuryl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.