Butanoic acid, 3-methyl-, phenyl ester
TL;DR: Butanoic acid, 3-methyl-, phenyl ester (CAS 15806-38-9) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl 3-methylbutanoate
Also Known As: phenyl 3-methylbutanoate, Phenylisovalerianat, phenyl 3-methylbutyrate, 3-Methylbutanoic acid, phenyl ester, Isovaleriansaurephenylester
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 Da |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
| SMILES | CC(C)CC(=O)OC1=CC=CC=C1 |
| InChIKey | GBXSANZZKSPQKM-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, 3-methyl-, phenyl ester
Property Insights of Butanoic acid, 3-methyl-, phenyl ester
The XLogP value of 3.2 indicates that Butanoic acid, 3-methyl-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 3-methyl-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-, phenyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanoic acid, 3-methyl-, phenyl ester?
The CAS number of Butanoic acid, 3-methyl-, phenyl ester is 15806-38-9.
What is the molecular formula of Butanoic acid, 3-methyl-, phenyl ester?
The molecular formula of Butanoic acid, 3-methyl-, phenyl ester is C11H14O2.
What is the molecular weight of Butanoic acid, 3-methyl-, phenyl ester?
The molecular weight of Butanoic acid, 3-methyl-, phenyl ester is 178.09938 g/mol.
Where can I buy Butanoic acid, 3-methyl-, phenyl ester?
You can request a quote for Butanoic acid, 3-methyl-, phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 3-methyl-, phenyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 3-methyl-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.