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CAS 911064-58-9 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine hydrochloride molecular structure lightbox
CAS RN: 911064-58-9

2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine hydrochloride

  • Product code: SSC-203944
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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 911064-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

911064-58-9 / 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;hydrochloride

Standard CAS: 911064-58-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
911064-58-9
Multi CAS
No
Molecular Formula
C7H9CLF3N3
Molecular Weight
227.610000
Exact Mass
227.043710
InChI
InChI=1S/C7H8F3N3.ClH/c8-7(9,10)5-4-13-2-1-11-3-6(13)12-5;/h4,11H,1-3H2;1H
InChIKey
WQJNJYFZTOYWPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.18
TPSA
29.85

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.43
Consensus LogP
1.37
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-3.1

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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