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CAS 321937-10-4 6-(TRIFLUOROMETHYL)-1H-INDENE molecular structure lightbox
CAS RN: 321937-10-4

6-(TRIFLUOROMETHYL)-1H-INDENE

  • Product code: SSC-137758
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 321937-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

321937-10-4 / 6-(trifluoromethyl)-1H-indene

Standard CAS: 321937-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321937-10-4
Multi CAS
No
Molecular Formula
C10F3H7
Molecular Weight
184.160000
Exact Mass
184.049985
InChI
InChI=1S/C10H7F3/c11-10(12,13)9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2
InChIKey
YUVDIEALUPJKEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
44.18
TPSA
0.0000

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
3.6
Consensus LogP
3.25
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-1.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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