3-Bromo-1,1,1-triphenylacetone
TL;DR: 3-Bromo-1,1,1-triphenylacetone (CAS 94880-11-2) is a chemical compound with molecular formula C21H17BrO and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,1,1-triphenylpropan-2-one
Also Known As: 3-bromo-1,1,1-triphenylacetone, 3-bromo-1,1,1-triphenylpropan-2-one, 3-bromo-1,1,1-triphenyl-propan-2-one, 663-316-3, RefChem:498110
| Molecular Formula | C21H17BrO |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 4.985 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0463 |
| Heavy Atoms | 23 |
| Complexity | 670.0475 |
Chemical Identifiers
| CAS Number | 94880-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)CBr |
Product Overview
3-Bromo-1,1,1-triphenylacetone (CAS 94880-11-2), with molecular formula C21H17BrO and molecular weight 364.05 g/mol. IUPAC: 3-bromo-1,1,1-triphenylpropan-2-one.
Chemical Property Profile of 3-Bromo-1,1,1-triphenylacetone
Property Insights of 3-Bromo-1,1,1-triphenylacetone
The XLogP value of 4.985 indicates that 3-Bromo-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 17.07 Ų, 3-Bromo-1,1,1-triphenylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-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 3-Bromo-1,1,1-triphenylacetone?
The CAS number of 3-Bromo-1,1,1-triphenylacetone is 94880-11-2.
What is the molecular formula of 3-Bromo-1,1,1-triphenylacetone?
The molecular formula of 3-Bromo-1,1,1-triphenylacetone is C21H17BrO.
What is the molecular weight of 3-Bromo-1,1,1-triphenylacetone?
The molecular weight of 3-Bromo-1,1,1-triphenylacetone is 364.05 g/mol.
Where can I buy 3-Bromo-1,1,1-triphenylacetone?
You can request a quote for 3-Bromo-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 3-Bromo-1,1,1-triphenylacetone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,1,1-triphenylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.