2-Butenal, 3-methyl-4-nitroxy-
TL;DR: 2-Butenal, 3-methyl-4-nitroxy- (CAS 127039-29-6) is a chemical compound with molecular formula C5H7NO4 and molecular weight 145.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-2-methyl-4-oxobut-2-enyl] nitrate
Also Known As: 3-Methyl-4-nitroxy-2-butenal, 2-Butenal, 3-methyl-4-nitroxy-, (E)-3-Methyl-4-(nitrooxy)-2-butenal, [(E)-2-methyl-4-oxobut-2-enyl] nitrate, J1.160.007G
Technical Specifications
| Molecular Formula | C5H7NO4 |
| Molecular Weight | 145.0375 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.0375 Da |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
| SMILES | C/C(=C\C=O)/CO[N+](=O)[O-] |
| InChIKey | FHQODWHGFJXLCS-GORDUTHDSA-N |
Chemical Property Profile of 2-Butenal, 3-methyl-4-nitroxy-
Property Insights of 2-Butenal, 3-methyl-4-nitroxy-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenal, 3-methyl-4-nitroxy-. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenal, 3-methyl-4-nitroxy-. Following Lipinski's Rule of Five, 2-Butenal, 3-methyl-4-nitroxy- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Butenal, 3-methyl-4-nitroxy-?
The CAS number of 2-Butenal, 3-methyl-4-nitroxy- is 127039-29-6.
What is the molecular formula of 2-Butenal, 3-methyl-4-nitroxy-?
The molecular formula of 2-Butenal, 3-methyl-4-nitroxy- is C5H7NO4.
What is the molecular weight of 2-Butenal, 3-methyl-4-nitroxy-?
The molecular weight of 2-Butenal, 3-methyl-4-nitroxy- is 145.0375 g/mol.
Where can I buy 2-Butenal, 3-methyl-4-nitroxy-?
You can request a quote for 2-Butenal, 3-methyl-4-nitroxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenal, 3-methyl-4-nitroxy-?
Yes, CoreyChem provides custom synthesis services for 2-Butenal, 3-methyl-4-nitroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.