1,3,5,Triacetylbenzene
TL;DR: 1,3,5,Triacetylbenzene (CAS 779-90-8) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-diacetylphenyl)ethanone
Also Known As: 1,3,5-Triacetylbenzene, 1,3,5,Triacetylbenzene, 1,1',1''-(Benzene-1,3,5-triyl)triethanone, 1-(3,5-diacetylphenyl)ethanone, 1,5-Triacetylbenzene
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 779-90-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC(=C1)C(=O)C)C(=O)C |
| InChIKey | HSOAIPRTHLEQFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5,Triacetylbenzene (CAS 779-90-8), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 1-(3,5-diacetylphenyl)ethanone.
Chemical Property Profile of 1,3,5,Triacetylbenzene
Property Insights of 1,3,5,Triacetylbenzene
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5,Triacetylbenzene. With a topological polar surface area (TPSA) of 51.2 Ų, 1,3,5,Triacetylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5,Triacetylbenzene has 0 hydrogen bond donor(s) and 3 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,Triacetylbenzene?
The CAS number of 1,3,5,Triacetylbenzene is 779-90-8.
What is the molecular formula of 1,3,5,Triacetylbenzene?
The molecular formula of 1,3,5,Triacetylbenzene is C12H12O3.
What is the molecular weight of 1,3,5,Triacetylbenzene?
The molecular weight of 1,3,5,Triacetylbenzene is 204.08 g/mol.
Where can I buy 1,3,5,Triacetylbenzene?
You can request a quote for 1,3,5,Triacetylbenzene 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,Triacetylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5,Triacetylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.