CAS RN: 90732-28-8
1H-Indole, 2,3-dihydro-1-(trifluoroacetyl)- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250404 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS90732-28-8
- Purity/Analytical Methods: >99.0%
90732-28-8 / 1-(2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone
Basic Information
CAS
90732-28-8
Multi CAS
No
Molecular Formula
C10F3H8NO
Molecular Weight
215.170000
Exact Mass
215.055798
InChI
InChI=1S/C10H8F3NO/c11-10(12,13)9(15)14-6-5-7-3-1-2-4-8(7)14/h1-4H,5-6H2
InChIKey
NPSZSUAIVBOFOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
48.55
TPSA
20.31
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
2.4
Consensus LogP
2.14
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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