Pentyl 4-oxovalerate
TL;DR: Pentyl 4-oxovalerate (CAS 20279-49-6) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentyl 4-oxopentanoate
Also Known As: Pentyl 4-oxovalerate, Pentyl levulinate, Pentyl 4-oxopentanoate, amyl levulinate, N-Amyl levulinate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.1256 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.1256 Da |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
| SMILES | CCCCCOC(=O)CCC(=O)C |
| InChIKey | NLDFWNCRMVSDMC-UHFFFAOYSA-N |
Chemical Property Profile of Pentyl 4-oxovalerate
Property Insights of Pentyl 4-oxovalerate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 4-oxovalerate. With a topological polar surface area (TPSA) of 43.4 Ų, Pentyl 4-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 4-oxovalerate 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 Pentyl 4-oxovalerate?
The CAS number of Pentyl 4-oxovalerate is 20279-49-6.
What is the molecular formula of Pentyl 4-oxovalerate?
The molecular formula of Pentyl 4-oxovalerate is C10H18O3.
What is the molecular weight of Pentyl 4-oxovalerate?
The molecular weight of Pentyl 4-oxovalerate is 186.1256 g/mol.
Where can I buy Pentyl 4-oxovalerate?
You can request a quote for Pentyl 4-oxovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentyl 4-oxovalerate?
Yes, CoreyChem provides custom synthesis services for Pentyl 4-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.