4,4-Dinitro-2-butenamide
TL;DR: 4,4-Dinitro-2-butenamide (CAS 89033-49-8) is a chemical compound with molecular formula C4H5N3O5 and molecular weight 175.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dinitrobut-2-enamide
Also Known As: 4,4-dinitro-2-butenamide, 4,4-dinitrobut-2-enamide, 4,4-Dinitro-crotonsaeureamid
| Molecular Formula | C4H5N3O5 |
|---|---|
| Molecular Weight | 175.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.02292 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 89033-49-8 |
|---|---|
| SMILES | C(=CC(=O)N)C([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DNYQAZUXSGNILJ-UHFFFAOYSA-N |
Product Overview
4,4-Dinitro-2-butenamide (CAS 89033-49-8), with molecular formula C4H5N3O5 and molecular weight 175.02 g/mol. IUPAC: 4,4-dinitrobut-2-enamide.
Chemical Property Profile of 4,4-Dinitro-2-butenamide
Property Insights of 4,4-Dinitro-2-butenamide
The XLogP value of -0.5 indicates that 4,4-Dinitro-2-butenamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dinitro-2-butenamide. Following Lipinski's Rule of Five, 4,4-Dinitro-2-butenamide has 1 hydrogen bond donor(s) and 5 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 4,4-Dinitro-2-butenamide?
The CAS number of 4,4-Dinitro-2-butenamide is 89033-49-8.
What is the molecular formula of 4,4-Dinitro-2-butenamide?
The molecular formula of 4,4-Dinitro-2-butenamide is C4H5N3O5.
What is the molecular weight of 4,4-Dinitro-2-butenamide?
The molecular weight of 4,4-Dinitro-2-butenamide is 175.02 g/mol.
Where can I buy 4,4-Dinitro-2-butenamide?
You can request a quote for 4,4-Dinitro-2-butenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dinitro-2-butenamide?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dinitro-2-butenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.