Methyl 3,4,5-Tris(benzyloxy)benzoate
TL;DR: Methyl 3,4,5-Tris(benzyloxy)benzoate (CAS 70424-94-1) is a chemical compound with molecular formula C29H26O5 and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-tris(phenylmethoxy)benzoate
Also Known As: Methyl 3,4,5-Tris(benzyloxy)benzoate, Methyl 3,4,5-Tribenzyloxybenzoate, Methyl Tri-O-benzylgallate, METHYL TRIBENZYLGALLATE, methyl 3,4,5-tris(phenylmethoxy)benzoate
| Molecular Formula | C29H26O5 |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 454.178 |
| Heavy Atoms | 34 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 70424-94-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4 |
| InChIKey | MAUSJTNDKNFSEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,4,5-Tris(benzyloxy)benzoate (CAS 70424-94-1), with molecular formula C29H26O5 and molecular weight 454.18 g/mol. IUPAC: methyl 3,4,5-tris(phenylmethoxy)benzoate.
Chemical Property Profile of Methyl 3,4,5-Tris(benzyloxy)benzoate
Property Insights of Methyl 3,4,5-Tris(benzyloxy)benzoate
The XLogP value of 6.2 indicates that Methyl 3,4,5-Tris(benzyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Methyl 3,4,5-Tris(benzyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4,5-Tris(benzyloxy)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3,4,5-Tris(benzyloxy)benzoate?
The CAS number of Methyl 3,4,5-Tris(benzyloxy)benzoate is 70424-94-1.
What is the molecular formula of Methyl 3,4,5-Tris(benzyloxy)benzoate?
The molecular formula of Methyl 3,4,5-Tris(benzyloxy)benzoate is C29H26O5.
What is the molecular weight of Methyl 3,4,5-Tris(benzyloxy)benzoate?
The molecular weight of Methyl 3,4,5-Tris(benzyloxy)benzoate is 454.18 g/mol.
Where can I buy Methyl 3,4,5-Tris(benzyloxy)benzoate?
You can request a quote for Methyl 3,4,5-Tris(benzyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4,5-Tris(benzyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4,5-Tris(benzyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.