Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate
TL;DR: Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate (CAS 886496-52-2) is a chemical compound with molecular formula C16H15NO5 and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enoate
Also Known As: Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate, Ethyl3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate, 3-[5-(2-Methyl-5-nitro-phenyl)-furan-2-yl]-acrylic acid ethyl ester, ethyl (E)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enoate
| Molecular Formula | C16H15NO5 |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 3.73952 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.09503 |
| Heavy Atoms | 22 |
| Complexity | 729.88745 |
Chemical Identifiers
| CAS Number | 886496-52-2 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC=C(O1)C2=C(C=CC(=C2)[N+](=O)[O-])C |
Product Overview
Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate (CAS 886496-52-2), with molecular formula C16H15NO5 and molecular weight 301.10 g/mol. IUPAC: ethyl (E)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enoate.
Chemical Property Profile of Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate
Property Insights of Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate
The XLogP value of 3.73952 indicates that Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate 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 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate. Following Lipinski's Rule of Five, Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate 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 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate?
The CAS number of Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate is 886496-52-2.
What is the molecular formula of Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate?
The molecular formula of Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate is C16H15NO5.
What is the molecular weight of Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate?
The molecular weight of Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate is 301.10 g/mol.
Where can I buy Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate?
You can request a quote for Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(5-(2-methyl-5-nitrophenyl)furan-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.