![3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate structure](/static/products/114/114430-17-0.webp)
3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate
TL;DR: 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate (CAS 114430-17-0) is a chemical compound with molecular formula C15H19NO5 and molecular weight 293.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-3-(4-butoxyphenyl)-2-nitroprop-2-enyl] acetate
Also Known As: 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate, 3-(4-butoxyphenyl)-2-nitroprop-2-en-1-yl acetate, [(Z)-3-(4-butoxyphenyl)-2-nitro-prop-2-enyl] Acetate, [(Z)-3-(4-butoxyphenyl)-2-nitroprop-2-enyl] acetate, Acetic acid 2-nitro-3-[4-butoxyphenyl]-2-propenyl ester
Technical Specifications
| Molecular Formula | C15H19NO5 |
| Molecular Weight | 293.1263 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.1263 Da |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
| SMILES | CCCCOC1=CC=C(C=C1)/C=C(/COC(=O)C)\[N+](=O)[O-] |
| InChIKey | XCEIUPFAMMBINZ-UVTDQMKNSA-N |
Chemical Property Profile of 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate
Property Insights of 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate
The XLogP value of 3.1 indicates that 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate. Following Lipinski's Rule of Five, 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate?
The CAS number of 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate is 114430-17-0.
What is the molecular formula of 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate?
The molecular formula of 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate is C15H19NO5.
What is the molecular weight of 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate?
The molecular weight of 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate is 293.1263 g/mol.
Where can I buy 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate?
You can request a quote for 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate?
Yes, CoreyChem provides custom synthesis services for 3-(4-Butoxyphenyl)-2-nitroprop-2-enyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.