2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate
TL;DR: 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate (CAS 331944-84-4) is a chemical compound with molecular formula C13H8N2O8 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 5-nitrofuran-2-carboxylate
Also Known As: 2-{3-Nitrophenyl}, BAS 00655937, 2-(3-nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate, 2-{3-nitrophenyl}-2-oxoethyl 5-nitro-2-furoate, [2-(3-nitrophenyl)-2-oxoethyl] 5-nitrofuran-2-carboxylate
| Molecular Formula | C13H8N2O8 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 2.1357 |
| Topological Polar Surface Area | 142.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.02808 |
| Heavy Atoms | 23 |
| Complexity | 794.77716 |
Chemical Identifiers
| CAS Number | 331944-84-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-] |
Product Overview
2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate (CAS 331944-84-4), with molecular formula C13H8N2O8 and molecular weight 320.03 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 5-nitrofuran-2-carboxylate.
Chemical Property Profile of 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate
Property Insights of 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate
The XLogP value of 2.1357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate. The TPSA of 142.79 Ų indicates high polarity, suggesting 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate has 0 hydrogen bond donor(s) and 8 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 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate?
The CAS number of 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate is 331944-84-4.
What is the molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate?
The molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate is C13H8N2O8.
What is the molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate?
The molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate is 320.03 g/mol.
Where can I buy 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate?
You can request a quote for 2-(3-Nitrophenyl)-2-oxoethyl 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 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-2-oxoethyl 5-nitrofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.