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CAS 68755-42-0 4-(Trifluoromethyl)-1-indanone molecular structure lightbox
CAS RN: 68755-42-0

4-(Trifluoromethyl)-1-indanone

  • Product code: SSC-178439
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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, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 68755-42-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 3 In Stock Hong Kong Inquiry
0.1g ≥98% 1 In Stock Hong Kong Inquiry
0.25g ≥98% 1 In Stock Beijing Inquiry
5g ≥98% 1 In Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

68755-42-0 / 4-(trifluoromethyl)-2,3-dihydroinden-1-one

Standard CAS: 68755-42-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68755-42-0
Multi CAS
No
Molecular Formula
C10F3H7O
Molecular Weight
200.160000
Exact Mass
200.044899
InChI
InChI=1S/C10H7F3O/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3H,4-5H2
InChIKey
LJVBFMQEZSEGRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
44.1
TPSA
17.07

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.5
Consensus LogP
2.61
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-1.93

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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