3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide
TL;DR: 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide (CAS 97461-42-2) 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.
3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide
Also Known As: N-Pentyl-5-nitro-2-furanacrylamide, N-Pentyl-5-nitro-2-furylacrylamide, 2-Propenamide, 3-(5-nitro-2-furanyl)-N-pentyl-, 3-(5-Nitro-2-furanyl)-N-pentyl-2-propenamide, 4-18-00-04158 (Beilstein Handbook Reference)
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 97461-42-2 |
|---|---|
| SMILES | CCCCCNC(=O)C=CC1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | NGOQMCLLXATBGC-UHFFFAOYSA-N |
Product Overview
3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide (CAS 97461-42-2), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide.
Chemical Property Profile of 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide
Property Insights of 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide. Following Lipinski's Rule of Five, 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide 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 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide?
The CAS number of 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide is 97461-42-2.
What is the molecular formula of 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide?
The molecular formula of 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide is C12H16N2O4.
What is the molecular weight of 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide?
The molecular weight of 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide is 252.11 g/mol.
Where can I buy 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide?
You can request a quote for 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-nitrofuran-2-yl)-N-pentylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.