(3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid
TL;DR: (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid (CAS 113036-11-6) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid
Also Known As: (3R)-3-acetyloxy-5-ethoxy-5-oxo-pentanoic Acid
Technical Specifications
| Molecular Formula | C9H14O6 |
| Molecular Weight | 218.07904 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.07904 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | CCOC(=O)C[C@H](CC(=O)O)OC(=O)C |
| InChIKey | XTDRHYRKEIVYIN-ZETCQYMHSA-N |
Chemical Property Profile of (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid
Property Insights of (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid
The XLogP value of -0.1 indicates that (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid. Following Lipinski's Rule of Five, (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid?
The CAS number of (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid is 113036-11-6.
What is the molecular formula of (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid?
The molecular formula of (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid is C9H14O6.
What is the molecular weight of (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid?
The molecular weight of (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid is 218.07904 g/mol.
Where can I buy (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid?
You can request a quote for (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-3-acetyloxy-5-ethoxy-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.