1,1,1-Triphenylacetone
TL;DR: 1,1,1-Triphenylacetone (CAS 795-36-8) is a chemical compound with molecular formula C21H18O and molecular weight 286.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-triphenylpropan-2-one
Also Known As: 1,1,1-triphenylpropan-2-one, 1,1,1-Triphenylacetone, 2-Propanone,1,1,1-triphenyl-, methyl triphenylmethyl ketone, 1,1,1-Triphenylacetone #
| Molecular Formula | C21H18O |
|---|---|
| Molecular Weight | 286.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.13577 |
| Heavy Atoms | 22 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 795-36-8 |
|---|---|
| SMILES | CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | LZIVBWLOLYCDAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Triphenylacetone (CAS 795-36-8), with molecular formula C21H18O and molecular weight 286.14 g/mol. IUPAC: 1,1,1-triphenylpropan-2-one.
Chemical Property Profile of 1,1,1-Triphenylacetone
Property Insights of 1,1,1-Triphenylacetone
The XLogP value of 4.2 indicates that 1,1,1-Triphenylacetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,1-Triphenylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Triphenylacetone has 0 hydrogen bond donor(s) and 1 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 1,1,1-Triphenylacetone?
The CAS number of 1,1,1-Triphenylacetone is 795-36-8.
What is the molecular formula of 1,1,1-Triphenylacetone?
The molecular formula of 1,1,1-Triphenylacetone is C21H18O.
What is the molecular weight of 1,1,1-Triphenylacetone?
The molecular weight of 1,1,1-Triphenylacetone is 286.14 g/mol.
Where can I buy 1,1,1-Triphenylacetone?
You can request a quote for 1,1,1-Triphenylacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Triphenylacetone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Triphenylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.