Isoamyl gallate
TL;DR: Isoamyl gallate (CAS 2486-02-4) is a chemical compound with molecular formula C12H16O5 and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 3,4,5-trihydroxybenzoate
Also Known As: ISOAMYL GALLATE, Gallic Acid Isoamyl Ester, Isopentyl gallate, iso-Amyl gallate, 3-methylbutyl 3,4,5-trihydroxybenzoate
| Molecular Formula | C12H16O5 |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.09978 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 2486-02-4 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | YBMTWYWCLVMFFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl gallate (CAS 2486-02-4), with molecular formula C12H16O5 and molecular weight 240.10 g/mol. IUPAC: 3-methylbutyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Isoamyl gallate
Property Insights of Isoamyl gallate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl gallate. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoamyl gallate. Following Lipinski's Rule of Five, Isoamyl gallate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoamyl gallate?
The CAS number of Isoamyl gallate is 2486-02-4.
What is the molecular formula of Isoamyl gallate?
The molecular formula of Isoamyl gallate is C12H16O5.
What is the molecular weight of Isoamyl gallate?
The molecular weight of Isoamyl gallate is 240.10 g/mol.
Where can I buy Isoamyl gallate?
You can request a quote for Isoamyl gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl gallate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.