CAS RN: 391-12-8
7-(Trifluoromethyl)isatin
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250922 | 100g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251015 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260507 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250805 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batchno.20250808 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250508 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20250426 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-146695
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: 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 1
- 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.
391-12-8 / 7-(trifluoromethyl)-1H-indole-2,3-dione
Basic Information
CAS
391-12-8
Multi CAS
Yes
Molecular Formula
C9F3H4NO2
Molecular Weight
215.130000
Exact Mass
215.019413
InChI
InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
InChIKey
MXLDJTXXAYVWDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.4
TPSA
46.17
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.6
Consensus LogP
1.69
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
