3,3-Dimethyl-1,1-diphenyl-2-butanone
TL;DR: 3,3-Dimethyl-1,1-diphenyl-2-butanone (CAS 58343-20-7) is a chemical compound with molecular formula C18H20O and molecular weight 252.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1,1-diphenylbutan-2-one
Also Known As: Benzhydryl-tert.-butyl-keton, 3,3-dimethyl-1,1-diphenylbutan-2-one, 3,3-dimethyl-1,1-diphenyl-2-butanone, 3,3-dimethyl-1,1-diphenyl-butan-2-one, 2-Butanone, 3,3-dimethyl-1,1-diphenyl-
| Molecular Formula | C18H20O |
|---|---|
| Molecular Weight | 252.15 g/mol |
| LogP | 4.4337 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.15141 |
| Heavy Atoms | 19 |
| Complexity | 495.4079 |
Chemical Identifiers
| CAS Number | 58343-20-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 |
Product Overview
3,3-Dimethyl-1,1-diphenyl-2-butanone (CAS 58343-20-7), with molecular formula C18H20O and molecular weight 252.15 g/mol. IUPAC: 3,3-dimethyl-1,1-diphenylbutan-2-one.
Chemical Property Profile of 3,3-Dimethyl-1,1-diphenyl-2-butanone
Property Insights of 3,3-Dimethyl-1,1-diphenyl-2-butanone
The XLogP value of 4.4337 indicates that 3,3-Dimethyl-1,1-diphenyl-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3,3-Dimethyl-1,1-diphenyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1,1-diphenyl-2-butanone 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 3,3-Dimethyl-1,1-diphenyl-2-butanone?
The CAS number of 3,3-Dimethyl-1,1-diphenyl-2-butanone is 58343-20-7.
What is the molecular formula of 3,3-Dimethyl-1,1-diphenyl-2-butanone?
The molecular formula of 3,3-Dimethyl-1,1-diphenyl-2-butanone is C18H20O.
What is the molecular weight of 3,3-Dimethyl-1,1-diphenyl-2-butanone?
The molecular weight of 3,3-Dimethyl-1,1-diphenyl-2-butanone is 252.15 g/mol.
Where can I buy 3,3-Dimethyl-1,1-diphenyl-2-butanone?
You can request a quote for 3,3-Dimethyl-1,1-diphenyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1,1-diphenyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1,1-diphenyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.