2-Acetylbenzene-1,3,5-triyl tribenzoate
TL;DR: 2-Acetylbenzene-1,3,5-triyl tribenzoate (CAS 40296-15-9) is a chemical compound with molecular formula C29H20O7 and molecular weight 480.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyl-3,5-dibenzoyloxyphenyl) benzoate
Also Known As: 2',4',6'-tribenzoyloxyacetophenone, 2',4'6'-tribenzoyloxyacetophenone, 2-Acetylbenzene-1,3,5-triyl tribenzoate, 2',4',6'-tribenzoyloxy-acetophenone, (4-acetyl-3,5-dibenzoyloxyphenyl) benzoate
| Molecular Formula | C29H20O7 |
|---|---|
| Molecular Weight | 480.12 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 480.1209 |
| Heavy Atoms | 36 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 40296-15-9 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChIKey | TUMWMBJUIXDSGJ-UHFFFAOYSA-N |
Product Overview
2-Acetylbenzene-1,3,5-triyl tribenzoate (CAS 40296-15-9), with molecular formula C29H20O7 and molecular weight 480.12 g/mol. IUPAC: (4-acetyl-3,5-dibenzoyloxyphenyl) benzoate.
Chemical Property Profile of 2-Acetylbenzene-1,3,5-triyl tribenzoate
Property Insights of 2-Acetylbenzene-1,3,5-triyl tribenzoate
The XLogP value of 5.8 indicates that 2-Acetylbenzene-1,3,5-triyl tribenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetylbenzene-1,3,5-triyl tribenzoate. Following Lipinski's Rule of Five, 2-Acetylbenzene-1,3,5-triyl tribenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Acetylbenzene-1,3,5-triyl tribenzoate?
The CAS number of 2-Acetylbenzene-1,3,5-triyl tribenzoate is 40296-15-9.
What is the molecular formula of 2-Acetylbenzene-1,3,5-triyl tribenzoate?
The molecular formula of 2-Acetylbenzene-1,3,5-triyl tribenzoate is C29H20O7.
What is the molecular weight of 2-Acetylbenzene-1,3,5-triyl tribenzoate?
The molecular weight of 2-Acetylbenzene-1,3,5-triyl tribenzoate is 480.12 g/mol.
Where can I buy 2-Acetylbenzene-1,3,5-triyl tribenzoate?
You can request a quote for 2-Acetylbenzene-1,3,5-triyl tribenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylbenzene-1,3,5-triyl tribenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylbenzene-1,3,5-triyl tribenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.