C28H22BrF3N2OS
TL;DR: C28H22BrF3N2OS (CAS 1022542-72-8) is a chemical compound with molecular formula C28H22BrF3N2OS and molecular weight 570.05884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)-6,6-dimethyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-5,7-dihydroindol-4-one
Also Known As: 2-(4-bromophenyl)-6,6-dimethyl-1-(4-(5-(trifluoromethyl)(2-pyridylthio))phenyl)-5,6,7-trihydroindol-4-one, 2-(4-bromophenyl)-6,6-dimethyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-5,7-dihydroindol-4-one, 2-(4-bromophenyl)-6,6-dimethyl-1-(4-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)-4,5,6,7-tetrahydro-1H-indol-4-one, 2-(4-bromophenyl)-6,6-dimethyl-1-[4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]-5,7-dihydroindol-4-one, C28H22BrF3N2OS
Technical Specifications
| Molecular Formula | C28H22BrF3N2OS |
| Molecular Weight | 570.05884 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 570.05884 Da |
| Heavy Atoms | 36 |
| Complexity | 779.0 |
| SMILES | CC1(CC2=C(C=C(N2C3=CC=C(C=C3)SC4=NC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Br)C(=O)C1)C |
| InChIKey | XUSWLSGKVWEYDX-UHFFFAOYSA-N |
Chemical Property Profile of C28H22BrF3N2OS
Property Insights of C28H22BrF3N2OS
The XLogP value of 7.9 indicates that C28H22BrF3N2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H22BrF3N2OS. Following Lipinski's Rule of Five, C28H22BrF3N2OS has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C28H22BrF3N2OS?
The CAS number of C28H22BrF3N2OS is 1022542-72-8.
What is the molecular formula of C28H22BrF3N2OS?
The molecular formula of C28H22BrF3N2OS is C28H22BrF3N2OS.
What is the molecular weight of C28H22BrF3N2OS?
The molecular weight of C28H22BrF3N2OS is 570.05884 g/mol.
Where can I buy C28H22BrF3N2OS?
You can request a quote for C28H22BrF3N2OS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H22BrF3N2OS?
Yes, CoreyChem provides custom synthesis services for C28H22BrF3N2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.