sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate
TL;DR: sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate (CAS 301339-45-7) is a chemical compound with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate
Also Known As: sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate, butan-2-yl 2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 4.10348 |
| Topological Polar Surface Area | 106.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 843.09656 |
Chemical Identifiers
| CAS Number | 301339-45-7 |
|---|---|
| SMILES | CCC(C)OC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate (CAS 301339-45-7), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: butan-2-yl 2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate.
Chemical Property Profile of sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate
Property Insights of sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate
The XLogP value of 4.10348 indicates that sec-Butyl 2-cyano-3-(5-(4-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 sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate. Following Lipinski's Rule of Five, sec-Butyl 2-cyano-3-(5-(4-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 sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate?
The CAS number of sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate is 301339-45-7.
What is the molecular formula of sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate?
The molecular formula of sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate is C18H16N2O5.
What is the molecular weight of sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate?
The molecular weight of sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate is 340.11 g/mol.
Where can I buy sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate?
You can request a quote for sec-Butyl 2-cyano-3-(5-(4-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 sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyl 2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.