Cyanomethyl 5-nitrofuran-2-carboxylate
TL;DR: Cyanomethyl 5-nitrofuran-2-carboxylate (CAS 946-34-9) is a chemical compound with molecular formula C7H4N2O5 and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 5-nitrofuran-2-carboxylate
Also Known As: Cyanomethyl 5-nitro-2-furancarboxylate, cyanomethyl 5-nitrofuran-2-carboxylate
| Molecular Formula | C7H4N2O5 |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 0.86818 |
| Topological Polar Surface Area | 106.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.01202 |
| Heavy Atoms | 14 |
| Complexity | 402.4578 |
Chemical Identifiers
| CAS Number | 946-34-9 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C(=O)OCC#N |
Product Overview
Cyanomethyl 5-nitrofuran-2-carboxylate (CAS 946-34-9), with molecular formula C7H4N2O5 and molecular weight 196.01 g/mol. IUPAC: cyanomethyl 5-nitrofuran-2-carboxylate.
Chemical Property Profile of Cyanomethyl 5-nitrofuran-2-carboxylate
Property Insights of Cyanomethyl 5-nitrofuran-2-carboxylate
The XLogP value of 0.86818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl 5-nitrofuran-2-carboxylate. The TPSA of 106.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl 5-nitrofuran-2-carboxylate. Following Lipinski's Rule of Five, Cyanomethyl 5-nitrofuran-2-carboxylate 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 Cyanomethyl 5-nitrofuran-2-carboxylate?
The CAS number of Cyanomethyl 5-nitrofuran-2-carboxylate is 946-34-9.
What is the molecular formula of Cyanomethyl 5-nitrofuran-2-carboxylate?
The molecular formula of Cyanomethyl 5-nitrofuran-2-carboxylate is C7H4N2O5.
What is the molecular weight of Cyanomethyl 5-nitrofuran-2-carboxylate?
The molecular weight of Cyanomethyl 5-nitrofuran-2-carboxylate is 196.01 g/mol.
Where can I buy Cyanomethyl 5-nitrofuran-2-carboxylate?
You can request a quote for Cyanomethyl 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 Cyanomethyl 5-nitrofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl 5-nitrofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.