Butyl 2,4-dioxovalerate
TL;DR: Butyl 2,4-dioxovalerate (CAS 10153-83-0) 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.
butyl 2,4-dioxopentanoate
Also Known As: butyl 2,4-dioxopentanoate, Butyl 2,4-dioxovalerate, butyl 2,4-dioxo-pentanoate, Pentanoic acid, 2,4-dioxo-, butyl ester, 2,4-Dioxovaleric acid butyl ester
Technical Specifications
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.0892 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.0892 Da |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
| SMILES | CCCCOC(=O)C(=O)CC(=O)C |
| InChIKey | FOMYYQMPVKGWON-UHFFFAOYSA-N |
Chemical Property Profile of Butyl 2,4-dioxovalerate
Property Insights of Butyl 2,4-dioxovalerate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2,4-dioxovalerate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2,4-dioxovalerate. Following Lipinski's Rule of Five, Butyl 2,4-dioxovalerate 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 Butyl 2,4-dioxovalerate?
The CAS number of Butyl 2,4-dioxovalerate is 10153-83-0.
What is the molecular formula of Butyl 2,4-dioxovalerate?
The molecular formula of Butyl 2,4-dioxovalerate is C9H14O4.
What is the molecular weight of Butyl 2,4-dioxovalerate?
The molecular weight of Butyl 2,4-dioxovalerate is 186.0892 g/mol.
Where can I buy Butyl 2,4-dioxovalerate?
You can request a quote for Butyl 2,4-dioxovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 2,4-dioxovalerate?
Yes, CoreyChem provides custom synthesis services for Butyl 2,4-dioxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.