Isopropyl gallate
TL;DR: Isopropyl gallate (CAS 1138-60-9) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3,4,5-trihydroxybenzoate
Also Known As: Isopropylgallate, isopropyl gallate, Isopropyl 3,4,5-trihydroxybenzoate, isopropylgallat, propan-2-yl 3,4,5-trihydroxybenzoate
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 1138-60-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | TXGSOSAONMOPDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl gallate (CAS 1138-60-9), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: propan-2-yl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Isopropyl gallate
Property Insights of Isopropyl gallate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl gallate. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl gallate. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl gallate?
The CAS number of Isopropyl gallate is 1138-60-9.
What is the molecular formula of Isopropyl gallate?
The molecular formula of Isopropyl gallate is C10H12O5.
What is the molecular weight of Isopropyl gallate?
The molecular weight of Isopropyl gallate is 212.07 g/mol.
Where can I buy Isopropyl gallate?
You can request a quote for Isopropyl gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl gallate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.