![[5-(4-Nitrophenyl)furan-2-yl]methyl acetate structure](/static/products/541/54146-50-8.png)
[5-(4-Nitrophenyl)furan-2-yl]methyl acetate
TL;DR: [5-(4-Nitrophenyl)furan-2-yl]methyl acetate (CAS 54146-50-8) 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.
[5-(4-nitrophenyl)furan-2-yl]methyl acetate
Also Known As: [5-(4-nitrophenyl)furan-2-yl]methyl acetate, 2-(Acetoxymethyl)-5-(4-nitrophenyl)furan, BIM-0007148.P001, (5-{4-nitrophenyl}-2-furyl)methyl acetate, [5-(4-nitrophenyl)-2-furyl]methyl acetate
| Molecular Formula | C13H11NO5 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 2.9179 |
| 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 | 599.75104 |
Chemical Identifiers
| CAS Number | 54146-50-8 |
|---|---|
| SMILES | CC(=O)OCC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
[5-(4-Nitrophenyl)furan-2-yl]methyl acetate (CAS 54146-50-8), with molecular formula C13H11NO5 and molecular weight 261.06 g/mol. IUPAC: [5-(4-nitrophenyl)furan-2-yl]methyl acetate.
Chemical Property Profile of [5-(4-Nitrophenyl)furan-2-yl]methyl acetate
Property Insights of [5-(4-Nitrophenyl)furan-2-yl]methyl acetate
The XLogP value of 2.9179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(4-Nitrophenyl)furan-2-yl]methyl acetate. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(4-Nitrophenyl)furan-2-yl]methyl acetate. Following Lipinski's Rule of Five, [5-(4-Nitrophenyl)furan-2-yl]methyl acetate 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 [5-(4-Nitrophenyl)furan-2-yl]methyl acetate?
The CAS number of [5-(4-Nitrophenyl)furan-2-yl]methyl acetate is 54146-50-8.
What is the molecular formula of [5-(4-Nitrophenyl)furan-2-yl]methyl acetate?
The molecular formula of [5-(4-Nitrophenyl)furan-2-yl]methyl acetate is C13H11NO5.
What is the molecular weight of [5-(4-Nitrophenyl)furan-2-yl]methyl acetate?
The molecular weight of [5-(4-Nitrophenyl)furan-2-yl]methyl acetate is 261.06 g/mol.
Where can I buy [5-(4-Nitrophenyl)furan-2-yl]methyl acetate?
You can request a quote for [5-(4-Nitrophenyl)furan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(4-Nitrophenyl)furan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-Nitrophenyl)furan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.