![CAS 1360898-86-7 5′-(Trifluoromethyl)-1’H-spiro[cyclopropane-1,3′-indole]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1360898-86-7.gif)
CAS RN: 1360898-86-7
5′-(Trifluoromethyl)-1’H-spiro[cyclopropane-1,3′-indole]-2′-one
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.20260108 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-044764
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1360898-86-7 / 5-(trifluoromethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Basic Information
CAS
1360898-86-7
Multi CAS
No
Molecular Formula
C11H8F3NO
Molecular Weight
227.180000
Exact Mass
227.055798
SMILES
C1CC12C3=C(C=CC(=C3)C(F)(F)F)NC2=O
InChI
InChI=1S/C11H8F3NO/c12-11(13,14)6-1-2-8-7(5-6)10(3-4-10)9(16)15-8/h1-2,5H,3-4H2,(H,15,16)
InChIKey
WSAUAGDJLWAALP-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
50.99
TPSA
29.1
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2
Consensus LogP
2.35
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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