Furan-2-yl 4-nitrobenzoate
TL;DR: Furan-2-yl 4-nitrobenzoate (CAS 6314-37-0) is a chemical compound with molecular formula C11H7NO5 and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-yl 4-nitrobenzoate
Also Known As: furan-2-yl 4-nitrobenzoate, 5,5-diethyl-tetrahydro-pyrimidin-2-one
| Molecular Formula | C11H7NO5 |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.03242 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 6314-37-0 |
|---|---|
| SMILES | C1=COC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | WAMZEQZVDOMZFT-UHFFFAOYSA-N |
Product Overview
Furan-2-yl 4-nitrobenzoate (CAS 6314-37-0), with molecular formula C11H7NO5 and molecular weight 233.03 g/mol. IUPAC: furan-2-yl 4-nitrobenzoate.
Chemical Property Profile of Furan-2-yl 4-nitrobenzoate
Property Insights of Furan-2-yl 4-nitrobenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furan-2-yl 4-nitrobenzoate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Furan-2-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, Furan-2-yl 4-nitrobenzoate 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 Furan-2-yl 4-nitrobenzoate?
The CAS number of Furan-2-yl 4-nitrobenzoate is 6314-37-0.
What is the molecular formula of Furan-2-yl 4-nitrobenzoate?
The molecular formula of Furan-2-yl 4-nitrobenzoate is C11H7NO5.
What is the molecular weight of Furan-2-yl 4-nitrobenzoate?
The molecular weight of Furan-2-yl 4-nitrobenzoate is 233.03 g/mol.
Where can I buy Furan-2-yl 4-nitrobenzoate?
You can request a quote for Furan-2-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furan-2-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Furan-2-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.