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CAS 347361-46-0 3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole molecular structure lightbox
CAS RN: 347361-46-0

3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole

  • Product code: SSC-141350
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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 347361-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

347361-46-0 / 3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

Standard CAS: 347361-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
347361-46-0
Multi CAS
No
Molecular Formula
C7F3H7N2
Molecular Weight
176.140000
Exact Mass
176.056133
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)6-4-2-1-3-5(4)11-12-6/h1-3H2,(H,11,12)
InChIKey
STVFXOQFVSGNKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.61
TPSA
28.68

LogP / Solubility

WLOGP
1.92
MLOGP
1.68
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-2.43

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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