Methyl 4-acetyl-5-oxohexanoate
TL;DR: Methyl 4-acetyl-5-oxohexanoate (CAS 14011-21-3) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-acetyl-5-oxohexanoate
Also Known As: Methyl 4-acetyl-5-oxohexanoate, Hexanoic acid, 4-acetyl-5-oxo-, methyl ester, methyl 4-acetyl-5-oxo-hexanoate, 4-acetyl-5-oxohexanoic acid methyl ester, METHYL4-ACETYL-5-OXOHEXANOATE
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.0892 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.0892 Da |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
| SMILES | CC(=O)C(CCC(=O)OC)C(=O)C |
| InChIKey | XFUDNZLAPUHONL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-acetyl-5-oxohexanoate
Property Insights of Methyl 4-acetyl-5-oxohexanoate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-acetyl-5-oxohexanoate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-acetyl-5-oxohexanoate. Following Lipinski's Rule of Five, Methyl 4-acetyl-5-oxohexanoate 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 Methyl 4-acetyl-5-oxohexanoate?
The CAS number of Methyl 4-acetyl-5-oxohexanoate is 14011-21-3.
What is the molecular formula of Methyl 4-acetyl-5-oxohexanoate?
The molecular formula of Methyl 4-acetyl-5-oxohexanoate is C9H14O4.
What is the molecular weight of Methyl 4-acetyl-5-oxohexanoate?
The molecular weight of Methyl 4-acetyl-5-oxohexanoate is 186.0892 g/mol.
Where can I buy Methyl 4-acetyl-5-oxohexanoate?
You can request a quote for Methyl 4-acetyl-5-oxohexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-acetyl-5-oxohexanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-acetyl-5-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.