Butyl Gallate
TL;DR: Butyl Gallate (CAS 1083-41-6) is a chemical compound with molecular formula C11H14O5 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3,4,5-trihydroxybenzoate
Also Known As: BUTYL GALLATE, Butyl 3,4,5-trihydroxybenzoate, Progallin butyl, n-Butyl gallate, Gallic acid, butyl ester
| Molecular Formula | C11H14O5 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.08412 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 1083-41-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | XOPOEBVTQYAOSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl Gallate (CAS 1083-41-6), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: butyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Butyl Gallate
Property Insights of Butyl Gallate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl Gallate. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl Gallate. Following Lipinski's Rule of Five, Butyl 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 Butyl Gallate?
The CAS number of Butyl Gallate is 1083-41-6.
What is the molecular formula of Butyl Gallate?
The molecular formula of Butyl Gallate is C11H14O5.
What is the molecular weight of Butyl Gallate?
The molecular weight of Butyl Gallate is 226.08 g/mol.
Where can I buy Butyl Gallate?
You can request a quote for Butyl Gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl Gallate?
Yes, KEHONG BIO provides custom synthesis services for Butyl Gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.