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CAS 30129-20-5 Trifluormethylcyclohexylbromid molecular structure lightbox
CAS RN: 30129-20-5

Trifluormethylcyclohexylbromid

  • Product code: SSC-133812
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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: ＞97%
  • 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 30129-20-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

30129-20-5 / 1-bromo-4-(trifluoromethyl)cyclohexane

Standard CAS: 30129-20-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30129-20-5
Multi CAS
No
Molecular Formula
BC7H10Rf3
Molecular Weight
231.050000
Exact Mass
229.991800
InChI
InChI=1S/C7H10BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h5-6H,1-4H2
InChIKey
CTEBWBSBKSFIMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
40.73
TPSA
0.0000

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.6
Consensus LogP
3.4
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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