Isoamyl 4-hydroxybenzoate
TL;DR: Isoamyl 4-hydroxybenzoate (CAS 6521-30-8) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbutyl 4-hydroxybenzoate
Also Known As: Isopentyl 4-hydroxybenzoate, Isoamyl 4-Hydroxybenzoate, Isoamylparaben, Isoamyl p-hydroxybenzoate, isoamyl paraben
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
| SMILES | CC(C)CCOC(=O)C1=CC=C(C=C1)O |
| InChIKey | KSHVDKDQYBNSAN-UHFFFAOYSA-N |
Chemical Property Profile of Isoamyl 4-hydroxybenzoate
Property Insights of Isoamyl 4-hydroxybenzoate
The XLogP value of 3.8 indicates that Isoamyl 4-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Isoamyl 4-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 4-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 Isoamyl 4-hydroxybenzoate?
The CAS number of Isoamyl 4-hydroxybenzoate is 6521-30-8.
What is the molecular formula of Isoamyl 4-hydroxybenzoate?
The molecular formula of Isoamyl 4-hydroxybenzoate is C12H16O3.
What is the molecular weight of Isoamyl 4-hydroxybenzoate?
The molecular weight of Isoamyl 4-hydroxybenzoate is 208.10994 g/mol.
Where can I buy Isoamyl 4-hydroxybenzoate?
You can request a quote for Isoamyl 4-hydroxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl 4-hydroxybenzoate?
Yes, CoreyChem provides custom synthesis services for Isoamyl 4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.