Pentyl Gallate
TL;DR: Pentyl Gallate (CAS 4568-93-8) 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.
pentyl 3,4,5-trihydroxybenzoate
Also Known As: pentyl gallate, Amyl gallate, pentyl 3,4,5-trihydroxybenzoate, Gallic acid amyl ester, Gallic acid pentyl ester
| Molecular Formula | C12H16O5 |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.09978 |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 4568-93-8 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | IIOADSXXVWNOSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl Gallate (CAS 4568-93-8), with molecular formula C12H16O5 and molecular weight 240.10 g/mol. IUPAC: pentyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Pentyl Gallate
Property Insights of Pentyl Gallate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl Gallate. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl Gallate. Following Lipinski's Rule of Five, Pentyl 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 Pentyl Gallate?
The CAS number of Pentyl Gallate is 4568-93-8.
What is the molecular formula of Pentyl Gallate?
The molecular formula of Pentyl Gallate is C12H16O5.
What is the molecular weight of Pentyl Gallate?
The molecular weight of Pentyl Gallate is 240.10 g/mol.
Where can I buy Pentyl Gallate?
You can request a quote for Pentyl Gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl Gallate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl Gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.