2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one
TL;DR: 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one (CAS 1024280-38-3) is a chemical compound with molecular formula C28H21BrClF3N2OS and molecular weight 604.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-6,6-dimethyl-5,7-dihydroindol-4-one
Also Known As: 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one, 2-(4-bromophenyl)-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-6,6-dimethyl-5,7-dihydroindol-4-one, 2-(4-bromophenyl)-1-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one, 2-(4-bromophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]-6,6-dimethyl-5,7-dihydroindol-4-one, C28H21BrClF3N2OS
| Molecular Formula | C28H21BrClF3N2OS |
|---|---|
| Molecular Weight | 604.02 g/mol |
| LogP | 9.2803 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 604.01984 |
| Heavy Atoms | 37 |
| Complexity | 1495.8439 |
Chemical Identifiers
| CAS Number | 1024280-38-3 |
|---|---|
| SMILES | CC1(CC2=C(C=C(N2C3=CC=C(C=C3)SC4=C(C=C(C=N4)C(F)(F)F)Cl)C5=CC=C(C=C5)Br)C(=O)C1)C |
Product Overview
2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one (CAS 1024280-38-3), with molecular formula C28H21BrClF3N2OS and molecular weight 604.02 g/mol. IUPAC: 2-(4-bromophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-6,6-dimethyl-5,7-dihydroindol-4-one.
Chemical Property Profile of 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one
Property Insights of 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one
The XLogP value of 9.2803 indicates that 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one?
The CAS number of 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one is 1024280-38-3.
What is the molecular formula of 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one?
The molecular formula of 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one is C28H21BrClF3N2OS.
What is the molecular weight of 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one?
The molecular weight of 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one is 604.02 g/mol.
Where can I buy 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one?
You can request a quote for 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-1-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)-6,6-dimethyl-5,6,7-trihydroindol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.