3-Methyl-1,2,2-triphenyl-1-butanone
TL;DR: 3-Methyl-1,2,2-triphenyl-1-butanone (CAS 139452-30-5) is a chemical compound with molecular formula C23H22O and molecular weight 314.16705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1,2,2-triphenylbutan-1-one
Also Known As: 2,2-diphenyl-3-methylbutyrophenone, 3-methyl-1,2,2-triphenyl-1-butanone, 3-methyl-1,2,2-triphenylbutan-1-one, 3-methyl-1,2,2-triphenyl-butan-1-one
Technical Specifications
| Molecular Formula | C23H22O |
| Molecular Weight | 314.16705 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.16705 Da |
| Heavy Atoms | 24 |
| Complexity | 374.0 |
| SMILES | CC(C)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | ROXAUAZVTXXAKF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-1,2,2-triphenyl-1-butanone
Property Insights of 3-Methyl-1,2,2-triphenyl-1-butanone
The XLogP value of 6.0 indicates that 3-Methyl-1,2,2-triphenyl-1-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methyl-1,2,2-triphenyl-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,2,2-triphenyl-1-butanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Methyl-1,2,2-triphenyl-1-butanone?
The CAS number of 3-Methyl-1,2,2-triphenyl-1-butanone is 139452-30-5.
What is the molecular formula of 3-Methyl-1,2,2-triphenyl-1-butanone?
The molecular formula of 3-Methyl-1,2,2-triphenyl-1-butanone is C23H22O.
What is the molecular weight of 3-Methyl-1,2,2-triphenyl-1-butanone?
The molecular weight of 3-Methyl-1,2,2-triphenyl-1-butanone is 314.16705 g/mol.
Where can I buy 3-Methyl-1,2,2-triphenyl-1-butanone?
You can request a quote for 3-Methyl-1,2,2-triphenyl-1-butanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-1,2,2-triphenyl-1-butanone?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-1,2,2-triphenyl-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.