Ethyl 5-(3-nitrophenyl)furan-2-carboxylate
TL;DR: Ethyl 5-(3-nitrophenyl)furan-2-carboxylate (CAS 630089-95-1) is a chemical compound with molecular formula C13H11NO5 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-nitrophenyl)furan-2-carboxylate
Also Known As: ethyl 5-(3-nitrophenyl)furan-2-carboxylate, 5-(3-nitro-phenyl)-furan-2-carboxylic acid ethyl ester, F1542-0003
| Molecular Formula | C13H11NO5 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 3.0315 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.06372 |
| Heavy Atoms | 19 |
| Complexity | 617.00104 |
Chemical Identifiers
| CAS Number | 630089-95-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Ethyl 5-(3-nitrophenyl)furan-2-carboxylate (CAS 630089-95-1), with molecular formula C13H11NO5 and molecular weight 261.06 g/mol. IUPAC: ethyl 5-(3-nitrophenyl)furan-2-carboxylate.
Chemical Property Profile of Ethyl 5-(3-nitrophenyl)furan-2-carboxylate
Property Insights of Ethyl 5-(3-nitrophenyl)furan-2-carboxylate
The XLogP value of 3.0315 indicates that Ethyl 5-(3-nitrophenyl)furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(3-nitrophenyl)furan-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(3-nitrophenyl)furan-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 Ethyl 5-(3-nitrophenyl)furan-2-carboxylate?
The CAS number of Ethyl 5-(3-nitrophenyl)furan-2-carboxylate is 630089-95-1.
What is the molecular formula of Ethyl 5-(3-nitrophenyl)furan-2-carboxylate?
The molecular formula of Ethyl 5-(3-nitrophenyl)furan-2-carboxylate is C13H11NO5.
What is the molecular weight of Ethyl 5-(3-nitrophenyl)furan-2-carboxylate?
The molecular weight of Ethyl 5-(3-nitrophenyl)furan-2-carboxylate is 261.06 g/mol.
Where can I buy Ethyl 5-(3-nitrophenyl)furan-2-carboxylate?
You can request a quote for Ethyl 5-(3-nitrophenyl)furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(3-nitrophenyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(3-nitrophenyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.