Isooctyl gallate
TL;DR: Isooctyl gallate (CAS 52655-08-0) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 3,4,5-trihydroxybenzoate
Also Known As: Isooctyl gallate, 6-methylheptyl 3,4,5-trihydroxybenzoate, Benzoic acid, 3,4,5-trihydroxy-, isooctyl ester, Benzoic acid,3,4,5-trihydroxy-, isooctyl ester, 258-070-5
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 52655-08-0 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | GJCYPSBOSGWHEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isooctyl gallate (CAS 52655-08-0), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: 6-methylheptyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Isooctyl gallate
Property Insights of Isooctyl gallate
The XLogP value of 4.0 indicates that Isooctyl gallate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isooctyl gallate. Following Lipinski's Rule of Five, Isooctyl 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 Isooctyl gallate?
The CAS number of Isooctyl gallate is 52655-08-0.
What is the molecular formula of Isooctyl gallate?
The molecular formula of Isooctyl gallate is C15H22O5.
What is the molecular weight of Isooctyl gallate?
The molecular weight of Isooctyl gallate is 282.15 g/mol.
Where can I buy Isooctyl gallate?
You can request a quote for Isooctyl gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isooctyl gallate?
Yes, KEHONG BIO provides custom synthesis services for Isooctyl gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.