(E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate
TL;DR: (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate (CAS 301339-58-2) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl (E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
Also Known As: (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate, prop-2-enyl (2E)-2-cyano-3-[5-(3-nitrophenyl)(2-furyl)]prop-2-enoate, prop-2-enyl (E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.49098 |
| Topological Polar Surface Area | 106.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 857.861 |
Chemical Identifiers
| CAS Number | 301339-58-2 |
|---|---|
| SMILES | C=CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])/C#N |
Product Overview
(E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate (CAS 301339-58-2), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: prop-2-enyl (E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate.
Chemical Property Profile of (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate
Property Insights of (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate
The XLogP value of 3.49098 indicates that (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate. Following Lipinski's Rule of Five, (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate has 0 hydrogen bond donor(s) and 6 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 (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate?
The CAS number of (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate is 301339-58-2.
What is the molecular formula of (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate?
The molecular formula of (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate is C17H12N2O5.
What is the molecular weight of (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate?
The molecular weight of (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate is 324.07 g/mol.
Where can I buy (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate?
You can request a quote for (E)-allyl 2-cyano-3-(5-(3-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 (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-allyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.