Propyl butanoate, 3-hydroxy
TL;DR: Propyl butanoate, 3-hydroxy (CAS 116310-04-4) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 3-hydroxybutanoate
Also Known As: Propyl butanoate, 3-hydroxy, Propyl 3-hydroxybutanoate, Propyl 3-hydroxybutyrate, Propyl butanoate,3-hydroxy, Butanoic acid, 3-hydroxy-, propyl ester
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.0943 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0943 Da |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| SMILES | CCCOC(=O)CC(C)O |
| InChIKey | DYIMQAHDHMHISM-UHFFFAOYSA-N |
Chemical Property Profile of Propyl butanoate, 3-hydroxy
Property Insights of Propyl butanoate, 3-hydroxy
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl butanoate, 3-hydroxy. With a topological polar surface area (TPSA) of 46.5 Ų, Propyl butanoate, 3-hydroxy exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl butanoate, 3-hydroxy 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 Propyl butanoate, 3-hydroxy?
The CAS number of Propyl butanoate, 3-hydroxy is 116310-04-4.
What is the molecular formula of Propyl butanoate, 3-hydroxy?
The molecular formula of Propyl butanoate, 3-hydroxy is C7H14O3.
What is the molecular weight of Propyl butanoate, 3-hydroxy?
The molecular weight of Propyl butanoate, 3-hydroxy is 146.0943 g/mol.
Where can I buy Propyl butanoate, 3-hydroxy?
You can request a quote for Propyl butanoate, 3-hydroxy directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propyl butanoate, 3-hydroxy?
Yes, CoreyChem provides custom synthesis services for Propyl butanoate, 3-hydroxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.