2-Butyl p-hydroxybenzoate
TL;DR: 2-Butyl p-hydroxybenzoate (CAS 17696-61-6) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butan-2-yl 4-hydroxybenzoate
Also Known As: sec-Butyl 4-hydroxybenzoate, sec-Butylparaben, butan-2-yl 4-hydroxybenzoate, 4-Hydroxybenzoic Acid sec-Butyl Ester, 2-Butyl p-hydroxybenzoate
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
| SMILES | CCC(C)OC(=O)C1=CC=C(C=C1)O |
| InChIKey | ZUOTXZHOGPQFIU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butyl p-hydroxybenzoate
Property Insights of 2-Butyl p-hydroxybenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl p-hydroxybenzoate. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Butyl p-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl p-hydroxybenzoate 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 2-Butyl p-hydroxybenzoate?
The CAS number of 2-Butyl p-hydroxybenzoate is 17696-61-6.
What is the molecular formula of 2-Butyl p-hydroxybenzoate?
The molecular formula of 2-Butyl p-hydroxybenzoate is C11H14O3.
What is the molecular weight of 2-Butyl p-hydroxybenzoate?
The molecular weight of 2-Butyl p-hydroxybenzoate is 194.0943 g/mol.
Where can I buy 2-Butyl p-hydroxybenzoate?
You can request a quote for 2-Butyl p-hydroxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butyl p-hydroxybenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Butyl p-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.