N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide
TL;DR: N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide (CAS 97461-41-1) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dimethylpropyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Also Known As: N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide, N-(2,2-Dimethylpropyl)-5-nitro-2-furanacrylamide, N-(2,2-Dimethylpropyl)-3-(5-nitro-2-furanyl)-2-propenamide, 2-Propenamide, N-(2,2-dimethylpropyl)-3-(5-nitro-2-furanyl)-, n-(2,2-dimethylpropyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 97461-41-1 |
|---|---|
| SMILES | CC(C)(C)CNC(=O)C=CC1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | INTOXSDNRJZLRV-UHFFFAOYSA-N |
Product Overview
N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide (CAS 97461-41-1), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: N-(2,2-dimethylpropyl)-3-(5-nitrofuran-2-yl)prop-2-enamide.
Chemical Property Profile of N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide
Property Insights of N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide. Following Lipinski's Rule of Five, N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide 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-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide?
The CAS number of N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide is 97461-41-1.
What is the molecular formula of N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide?
The molecular formula of N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide is C12H16N2O4.
What is the molecular weight of N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide?
The molecular weight of N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide is 252.11 g/mol.
Where can I buy N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide?
You can request a quote for N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.