N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide
TL;DR: N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide (CAS 39965-42-9) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-(5-nitrofuran-2-yl)prop-2-enamide
Also Known As: N-(t-Butyl)-5-nitro-2-furylacrylamide, N-(1,1-Dimethylethyl)-5-nitro-2-furanacrylamide, N-tert-butyl-3-(5-nitro-furan-2-yl)-acrylamide, N-tert-butyl-3-(5-nitrofuran-2-yl)prop-2-enamide, 5-18-06-00318 (Beilstein Handbook Reference)
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 39965-42-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C=CC1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | XFPFTMFVETYXIL-UHFFFAOYSA-N |
Product Overview
N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide (CAS 39965-42-9), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: N-tert-butyl-3-(5-nitrofuran-2-yl)prop-2-enamide.
Chemical Property Profile of N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide
Property Insights of N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide. Following Lipinski's Rule of Five, N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide has 1 hydrogen bond donor(s) and 4 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 N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide?
The CAS number of N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide is 39965-42-9.
What is the molecular formula of N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide?
The molecular formula of N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide is C11H14N2O4.
What is the molecular weight of N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide?
The molecular weight of N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide is 238.10 g/mol.
Where can I buy N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide?
You can request a quote for N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.