4-tert-Butyl-3',4'-difluorobenzophenone
TL;DR: 4-tert-Butyl-3',4'-difluorobenzophenone (CAS 845781-01-3) is a chemical compound with molecular formula C17H16F2O and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-(3,4-difluorophenyl)methanone
Also Known As: 4-tert-Butyl-3',4'-difluorobenzophenone, (4-tert-butylphenyl)-(3,4-difluorophenyl)methanone, (4-tert-butylphenyl)(3,4-difluorophenyl)methanone, (4-tert-Butyl-phenyl)-(3,4-difluoro-phenyl)-methanone
| Molecular Formula | C17H16F2O |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 4.4933 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.1169 |
| Heavy Atoms | 20 |
| Complexity | 637.02985 |
Chemical Identifiers
| CAS Number | 845781-01-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F |
Product Overview
4-tert-Butyl-3',4'-difluorobenzophenone (CAS 845781-01-3), with molecular formula C17H16F2O and molecular weight 274.12 g/mol. IUPAC: (4-tert-butylphenyl)-(3,4-difluorophenyl)methanone.
Chemical Property Profile of 4-tert-Butyl-3',4'-difluorobenzophenone
Property Insights of 4-tert-Butyl-3',4'-difluorobenzophenone
The XLogP value of 4.4933 indicates that 4-tert-Butyl-3',4'-difluorobenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4-tert-Butyl-3',4'-difluorobenzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-3',4'-difluorobenzophenone 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 4-tert-Butyl-3',4'-difluorobenzophenone?
The CAS number of 4-tert-Butyl-3',4'-difluorobenzophenone is 845781-01-3.
What is the molecular formula of 4-tert-Butyl-3',4'-difluorobenzophenone?
The molecular formula of 4-tert-Butyl-3',4'-difluorobenzophenone is C17H16F2O.
What is the molecular weight of 4-tert-Butyl-3',4'-difluorobenzophenone?
The molecular weight of 4-tert-Butyl-3',4'-difluorobenzophenone is 274.12 g/mol.
Where can I buy 4-tert-Butyl-3',4'-difluorobenzophenone?
You can request a quote for 4-tert-Butyl-3',4'-difluorobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-3',4'-difluorobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-3',4'-difluorobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.