4-Oxohexanoic acid
TL;DR: 4-Oxohexanoic acid (CAS 1117-74-4) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxohexanoic acid
Also Known As: 4-oxohexanoic acid, 4-oxo-hexanoic acid, Hexanoic acid, 4-oxo-, 4-oxohexanoate, 4-keto-n-caproic acid
Technical Specifications
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.06299 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 Da |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
| SMILES | CCC(=O)CCC(=O)O |
| InChIKey | CLJBDOUIEHLLEN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Oxohexanoic acid
Property Insights of 4-Oxohexanoic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxohexanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Oxohexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxohexanoic acid has 1 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 4-Oxohexanoic acid?
The CAS number of 4-Oxohexanoic acid is 1117-74-4.
What is the molecular formula of 4-Oxohexanoic acid?
The molecular formula of 4-Oxohexanoic acid is C6H10O3.
What is the molecular weight of 4-Oxohexanoic acid?
The molecular weight of 4-Oxohexanoic acid is 130.06299 g/mol.
Where can I buy 4-Oxohexanoic acid?
You can request a quote for 4-Oxohexanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Oxohexanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Oxohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.