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CAS 401-75-2 (Trifluoromethyl)cyclohexane molecular structure lightbox
CAS RN: 401-75-2

(Trifluoromethyl)cyclohexane

  • Product code: SSC-148068
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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: 5g
  • 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 401-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

401-75-2 / trifluoromethylcyclohexane

Standard CAS: 401-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
401-75-2
Multi CAS
No
Molecular Formula
C7F3H11
Molecular Weight
152.160000
Exact Mass
152.081285
InChI
InChI=1S/C7H11F3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
QXPZOKVSFMRGMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
32.63
TPSA
0.0000

LogP / Solubility

WLOGP
3.13
MLOGP
2.75
XLogP3
3.7
Consensus LogP
3.19
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-1.43

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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