1,3,5-tris-(Hydroxymethyl)benzene triacetate
TL;DR: 1,3,5-tris-(Hydroxymethyl)benzene triacetate (CAS 56025-61-7) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(acetyloxymethyl)phenyl]methyl acetate
Also Known As: 1,3,5-Tri(acetoxymethyl)benzene, 1,3,5-tris-(Hydroxymethyl)benzene triacetate, benzene-1,3,5-triyltrimethanediyl triacetate, J1.107.240B, [3,5-bis(acetyloxymethyl)phenyl]methyl acetate
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 56025-61-7 |
|---|---|
| SMILES | CC(=O)OCC1=CC(=CC(=C1)COC(=O)C)COC(=O)C |
| InChIKey | JTUPDNAWXLSTQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-tris-(Hydroxymethyl)benzene triacetate (CAS 56025-61-7), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: [3,5-bis(acetyloxymethyl)phenyl]methyl acetate.
Chemical Property Profile of 1,3,5-tris-(Hydroxymethyl)benzene triacetate
Property Insights of 1,3,5-tris-(Hydroxymethyl)benzene triacetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-tris-(Hydroxymethyl)benzene triacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-tris-(Hydroxymethyl)benzene triacetate. Following Lipinski's Rule of Five, 1,3,5-tris-(Hydroxymethyl)benzene triacetate has 0 hydrogen bond donor(s) and 6 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 1,3,5-tris-(Hydroxymethyl)benzene triacetate?
The CAS number of 1,3,5-tris-(Hydroxymethyl)benzene triacetate is 56025-61-7.
What is the molecular formula of 1,3,5-tris-(Hydroxymethyl)benzene triacetate?
The molecular formula of 1,3,5-tris-(Hydroxymethyl)benzene triacetate is C15H18O6.
What is the molecular weight of 1,3,5-tris-(Hydroxymethyl)benzene triacetate?
The molecular weight of 1,3,5-tris-(Hydroxymethyl)benzene triacetate is 294.11 g/mol.
Where can I buy 1,3,5-tris-(Hydroxymethyl)benzene triacetate?
You can request a quote for 1,3,5-tris-(Hydroxymethyl)benzene triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-tris-(Hydroxymethyl)benzene triacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-tris-(Hydroxymethyl)benzene triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.