Phenyl gallate
TL;DR: Phenyl gallate (CAS 70022-13-8) is a chemical compound with molecular formula C13H10O5 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3,4,5-trihydroxybenzoate
Also Known As: phenyl gallate, phenyl 3,4,5-trihydroxybenzoate, Benzoic acid,3,4,5-trihydroxy-, phenyl ester, Benzoic acid,4,5-trihydroxy-, phenyl ester, Benzoic acid, 3,4,5-trihydroxy-, phenyl ester
| Molecular Formula | C13H10O5 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.05283 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 70022-13-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)O)O)O |
| InChIKey | HBZMQFJTPHSKNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl gallate (CAS 70022-13-8), with molecular formula C13H10O5 and molecular weight 246.05 g/mol. IUPAC: phenyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Phenyl gallate
Property Insights of Phenyl gallate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl gallate. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl gallate. Following Lipinski's Rule of Five, Phenyl 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 Phenyl gallate?
The CAS number of Phenyl gallate is 70022-13-8.
What is the molecular formula of Phenyl gallate?
The molecular formula of Phenyl gallate is C13H10O5.
What is the molecular weight of Phenyl gallate?
The molecular weight of Phenyl gallate is 246.05 g/mol.
Where can I buy Phenyl gallate?
You can request a quote for Phenyl gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl gallate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.