Hexyl gallate
TL;DR: Hexyl gallate (CAS 1087-26-9) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 3,4,5-trihydroxybenzoate
Also Known As: Hexyl gallate, Hexyl 3,4,5-trihydroxybenzoate, Gallic acid hexyl ester, Hexyl3,4,5-trihydroxybenzoate, n-Hexyl 3,4,5-trihydroxybenzoate
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.5405 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 390.8378 |
Chemical Identifiers
| CAS Number | 1087-26-9 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
Product Overview
Hexyl gallate (CAS 1087-26-9), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: hexyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Hexyl gallate
Property Insights of Hexyl gallate
The XLogP value of 2.5405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl gallate. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexyl gallate. Following Lipinski's Rule of Five, Hexyl 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 Hexyl gallate?
The CAS number of Hexyl gallate is 1087-26-9.
What is the molecular formula of Hexyl gallate?
The molecular formula of Hexyl gallate is C13H18O5.
What is the molecular weight of Hexyl gallate?
The molecular weight of Hexyl gallate is 254.12 g/mol.
Where can I buy Hexyl gallate?
You can request a quote for Hexyl gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl gallate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.