CAS RN: 1393491-69-4
3,3-Dimethyl-6-(trifluoromethyl)-2-indolinone
- Product code: SSC-049806
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 10g, 0.25g, 0.1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1393491-69-4 / 3,3-dimethyl-6-(trifluoromethyl)-1H-indol-2-one
Basic Information
CAS
1393491-69-4
Multi CAS
No
Molecular Formula
C11H10F3NO
Molecular Weight
229.200000
Exact Mass
229.071448
SMILES
CC1(C2=C(C=C(C=C2)C(F)(F)F)NC1=O)C
InChI
InChI=1S/C11H10F3NO/c1-10(2)7-4-3-6(11(12,13)14)5-8(7)15-9(10)16/h3-5H,1-2H3,(H,15,16)
InChIKey
OZMLWDMCCWTVPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.1
TPSA
29.1
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
2.6
Consensus LogP
2.71
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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)
-2.03
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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