![CAS 1067647-43-1 1H-INDOLE-2,4-DIONE, 3-[2,5-DIHYDRO-3-METHYL-5-OXO-1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-PYRAZOL-4-YL]-3,5,6,7-TETRAHYDRO-6,6-DIMETHYL-1-PHENYL-3-(TRIFLUOROMETHYL)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1067647-43-1.gif)
CAS RN: 1067647-43-1
1H-INDOLE-2,4-DIONE, 3-[2,5-DIHYDRO-3-METHYL-5-OXO-1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-PYRAZOL-4-YL]-3,5,6,7-TETRAHYDRO-6,6-DIMETHYL-1-PHENYL-3-(TRIFLUOROMETHYL)-
Product Availability
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7 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250529 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260414 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260524 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250327 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250410 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251108 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250603 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1067647-43-1
- Purity/Analytical Methods: >99.0%
1067647-43-1 / 6,6-dimethyl-3-[5-methyl-3-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
DTXSID50657629 | 6,6-dimethyl-3-{5-methyl-3-oxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazol-4-yl}-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione | 6,6-dimethyl-3-(5-methyl-3-oxo-2-(4-(trifluoromethoxy)phenyl)-2,3-dihydro-1H-pyrazol-4-yl)-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Basic Information
CAS
1067647-43-1
Multi CAS
Yes
Molecular Formula
C28H23F6N3O4
Molecular Weight
579.500000
Exact Mass
579.159275
SMILES
CC1=C(C(=O)N(N1)C2=CC=C(C=C2)OC(F)(F)F)C3(C4=C(CC(CC4=O)(C)C)N(C3=O)C5=CC=CC=C5)C(F)(F)F
InChI
InChI=1S/C28H23F6N3O4/c1-15-21(23(39)37(35-15)17-9-11-18(12-10-17)41-28(32,33)34)26(27(29,30)31)22-19(13-25(2,3)14-20(22)38)36(24(26)40)16-7-5-4-6-8-16/h4-12,35H,13-14H2,1-3H3
InChIKey
XLEVMSDNWOWFNX-UHFFFAOYSA-N
Synonyms
DTXSID50657629
6,6-dimethyl-3-{5-methyl-3-oxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazol-4-yl}-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
6,6-dimethyl-3-(5-methyl-3-oxo-2-(4-(trifluoromethoxy)phenyl)-2,3-dihydro-1H-pyrazol-4-yl)-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
RefChem:1073569
DTXCID10608379
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
17
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
134.52
TPSA
84.4
LogP / Solubility
WLOGP
5.86
MLOGP
5.2
XLogP3
5.8
Consensus LogP
5.62
Log S (ESOL)
-7.17
Class (ESOL)
Insoluble
Log S (Ali)
-8.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5
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