Benzyl 5-nitrofuran-2-carboxylate
TL;DR: Benzyl 5-nitrofuran-2-carboxylate (CAS 22427-65-2) is a chemical compound with molecular formula C12H9NO5 and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-nitrofuran-2-carboxylate
Also Known As: benzyl 5-nitrofuran-2-carboxylate, 5-Nitro-2-furancarboxylic acid benzyl ester, 5-Nitrofuran-2-carboxylic acid benzyl ester, J2.994.142D
| Molecular Formula | C12H9NO5 |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 2.5448 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.04807 |
| Heavy Atoms | 18 |
| Complexity | 560.85657 |
Chemical Identifiers
| CAS Number | 22427-65-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(O2)[N+](=O)[O-] |
Product Overview
Benzyl 5-nitrofuran-2-carboxylate (CAS 22427-65-2), with molecular formula C12H9NO5 and molecular weight 247.05 g/mol. IUPAC: benzyl 5-nitrofuran-2-carboxylate.
Chemical Property Profile of Benzyl 5-nitrofuran-2-carboxylate
Property Insights of Benzyl 5-nitrofuran-2-carboxylate
The XLogP value of 2.5448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 5-nitrofuran-2-carboxylate. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 5-nitrofuran-2-carboxylate. Following Lipinski's Rule of Five, Benzyl 5-nitrofuran-2-carboxylate 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 Benzyl 5-nitrofuran-2-carboxylate?
The CAS number of Benzyl 5-nitrofuran-2-carboxylate is 22427-65-2.
What is the molecular formula of Benzyl 5-nitrofuran-2-carboxylate?
The molecular formula of Benzyl 5-nitrofuran-2-carboxylate is C12H9NO5.
What is the molecular weight of Benzyl 5-nitrofuran-2-carboxylate?
The molecular weight of Benzyl 5-nitrofuran-2-carboxylate is 247.05 g/mol.
Where can I buy Benzyl 5-nitrofuran-2-carboxylate?
You can request a quote for Benzyl 5-nitrofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 5-nitrofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-nitrofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.