4-Ethoxy-2-butanone
TL;DR: 4-Ethoxy-2-butanone (CAS 1259983-56-6) is a chemical compound with molecular formula C15H18F3NO4 and molecular weight 333.1188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
Also Known As: 4-Ethoxy-2-butanone, boc-d-2-trifluoromethylphe, Boc-D-Phe(2-CF3)-OH, Boc-Phe(2-CF3)-OH, Boc-D-2-Trifluoromethylphenylalanine
Technical Specifications
| Molecular Formula | C15H18F3NO4 |
| Molecular Weight | 333.1188 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.1188 Da |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1C(F)(F)F)C(=O)O |
| InChIKey | XKMOOODKNPYTEE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethoxy-2-butanone
Property Insights of 4-Ethoxy-2-butanone
The XLogP value of 3.4 indicates that 4-Ethoxy-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxy-2-butanone. Following Lipinski's Rule of Five, 4-Ethoxy-2-butanone has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Ethoxy-2-butanone?
The CAS number of 4-Ethoxy-2-butanone is 1259983-56-6.
What is the molecular formula of 4-Ethoxy-2-butanone?
The molecular formula of 4-Ethoxy-2-butanone is C15H18F3NO4.
What is the molecular weight of 4-Ethoxy-2-butanone?
The molecular weight of 4-Ethoxy-2-butanone is 333.1188 g/mol.
Where can I buy 4-Ethoxy-2-butanone?
You can request a quote for 4-Ethoxy-2-butanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethoxy-2-butanone?
Yes, CoreyChem provides custom synthesis services for 4-Ethoxy-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.