2-Pentanone, 4-(acetyloxy)-
TL;DR: 2-Pentanone, 4-(acetyloxy)- (CAS 55577-75-8) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxopentan-2-yl acetate
Also Known As: 4-oxopentan-2-yl acetate, Hydracetylaceton-acetat, 4-Acetoxy-2-pentanone, 2-Pentanone, 4-(acetyloxy)-, Acetic acid 1-methyl-3-oxobutyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.07864 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 Da |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
| SMILES | CC(CC(=O)C)OC(=O)C |
| InChIKey | FTFUBYBSJNACIC-UHFFFAOYSA-N |
Product Description
Applications: 2-Pentanone, 4-(acetyloxy)- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Pentanone, 4-(acetyloxy)- (CAS 55577-75-8) is a heterocyclic building block with the molecular formula C7H12O3 and a molecular weight of 144.08 g/mol. Synonyms include 4-oxopentan-2-yl acetate and Hydracetylaceton-acetat.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Pentanone, 4-(acetyloxy)-
Property Insights of 2-Pentanone, 4-(acetyloxy)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, 4-(acetyloxy)-. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Pentanone, 4-(acetyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 4-(acetyloxy)- has 0 hydrogen bond donor(s) and 3 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-Pentanone, 4-(acetyloxy)-?
The CAS number of 2-Pentanone, 4-(acetyloxy)- is 55577-75-8.
What is the molecular formula of 2-Pentanone, 4-(acetyloxy)-?
The molecular formula of 2-Pentanone, 4-(acetyloxy)- is C7H12O3.
What is the molecular weight of 2-Pentanone, 4-(acetyloxy)-?
The molecular weight of 2-Pentanone, 4-(acetyloxy)- is 144.07864 g/mol.
What are the applications of 2-Pentanone, 4-(acetyloxy)-?
2-Pentanone, 4-(acetyloxy)- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem...
Where can I buy 2-Pentanone, 4-(acetyloxy)-?
You can request a quote for 2-Pentanone, 4-(acetyloxy)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Pentanone, 4-(acetyloxy)-?
Yes, CoreyChem provides custom synthesis services for 2-Pentanone, 4-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.