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CAS 213019-67-1 3-(trifluoroMethyl)pyrazin-2-aMine molecular structure lightbox
CAS RN: 213019-67-1

3-(trifluoroMethyl)pyrazin-2-aMine

  • Product code: SSC-101728
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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 213019-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

213019-67-1 / 3-(trifluoromethyl)pyrazin-2-amine

Standard CAS: 213019-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213019-67-1
Multi CAS
No
Molecular Formula
C5H4F3N3
Molecular Weight
163.100000
Exact Mass
163.035732
SMILES
C1=CN=C(C(=N1)C(F)(F)F)N
InChI
InChI=1S/C5H4F3N3/c6-5(7,8)3-4(9)11-2-1-10-3/h1-2H,(H2,9,11)
InChIKey
GDOQHWXDKQJKLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.45
TPSA
51.8

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
0.4
Consensus LogP
0.81
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-2.95

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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