CAS RN: 676477-10-4
1-(6-Chloro-3-indolyl)-2,2,2-trifluoroethanone
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.20250514 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-177380
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, 5g, 10g, 0.1g, 0.25g
- 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% | 4 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
676477-10-4 / 1-(6-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone
Basic Information
CAS
676477-10-4
Multi CAS
No
Molecular Formula
C10H5CLF3NO
Molecular Weight
247.600000
Exact Mass
247.001176
InChI
InChI=1S/C10H5ClF3NO/c11-5-1-2-6-7(4-15-8(6)3-5)9(16)10(12,13)14/h1-4,15H
InChIKey
DOCNWGLGOYLWRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.69
TPSA
32.86
LogP / Solubility
WLOGP
3.57
MLOGP
3.14
XLogP3
4.1
Consensus LogP
3.6
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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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