2-(4-butylphenyl)acetate
TL;DR: 2-(4-butylphenyl)acetate (CAS 14377-19-6) is a chemical compound with molecular formula C12H15O2- and molecular weight 191.10721 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-butylphenyl)acetate
Also Known As: 2-(4-butylphenyl)acetate, (4-butylphenyl)acetic acid, ?2-(4-butylphenyl)acetate, 2-(4-butylphenyl)acetic acid
Technical Specifications
| Molecular Formula | C12H15O2- |
| Molecular Weight | 191.10721 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.10721 Da |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
| SMILES | CCCCC1=CC=C(C=C1)CC(=O)[O-] |
| InChIKey | ROVMLIKBAVUPPB-UHFFFAOYSA-M |
Chemical Property Profile of 2-(4-butylphenyl)acetate
Property Insights of 2-(4-butylphenyl)acetate
The XLogP value of 3.9 indicates that 2-(4-butylphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 2-(4-butylphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-butylphenyl)acetate 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 2-(4-butylphenyl)acetate?
The CAS number of 2-(4-butylphenyl)acetate is 14377-19-6.
What is the molecular formula of 2-(4-butylphenyl)acetate?
The molecular formula of 2-(4-butylphenyl)acetate is C12H15O2-.
What is the molecular weight of 2-(4-butylphenyl)acetate?
The molecular weight of 2-(4-butylphenyl)acetate is 191.10721 g/mol.
Where can I buy 2-(4-butylphenyl)acetate?
You can request a quote for 2-(4-butylphenyl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-butylphenyl)acetate?
Yes, CoreyChem provides custom synthesis services for 2-(4-butylphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.