Methyl butanoate, 3-acetoxy
TL;DR: Methyl butanoate, 3-acetoxy (CAS 153854-02-5) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-acetyloxybutanoate
Also Known As: methyl 3-acetoxybutanoate, Methyl-3-acetoxybutanoate, Methyl butanoate, 3-acetoxy, methyl 3-acetyloxybutanoate, Ethyl-3-acetoxybutanoate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.07356 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.07356 Da |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
| SMILES | CC(CC(=O)OC)OC(=O)C |
| InChIKey | GSQSJDKJUCRGGT-UHFFFAOYSA-N |
Chemical Property Profile of Methyl butanoate, 3-acetoxy
Property Insights of Methyl butanoate, 3-acetoxy
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl butanoate, 3-acetoxy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl butanoate, 3-acetoxy exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl butanoate, 3-acetoxy 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 butanoate, 3-acetoxy?
The CAS number of Methyl butanoate, 3-acetoxy is 153854-02-5.
What is the molecular formula of Methyl butanoate, 3-acetoxy?
The molecular formula of Methyl butanoate, 3-acetoxy is C7H12O4.
What is the molecular weight of Methyl butanoate, 3-acetoxy?
The molecular weight of Methyl butanoate, 3-acetoxy is 160.07356 g/mol.
Where can I buy Methyl butanoate, 3-acetoxy?
You can request a quote for Methyl butanoate, 3-acetoxy directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl butanoate, 3-acetoxy?
Yes, CoreyChem provides custom synthesis services for Methyl butanoate, 3-acetoxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.