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CAS 889943-45-7 1-[6-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]METHANAMINE molecular structure lightbox
CAS RN: 889943-45-7

1-[6-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]METHANAMINE

  • Product code: SSC-200745
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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: 0.1g, 0.25g
  • 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 889943-45-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

889943-45-7 / [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine

Standard CAS: 889943-45-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
889943-45-7
Multi CAS
No
Molecular Formula
C8F3H7N4
Molecular Weight
216.160000
Exact Mass
216.062281
InChI
InChI=1S/C8H7F3N4/c9-8(10,11)5-1-2-6-13-14-7(3-12)15(6)4-5/h1-2,4H,3,12H2
InChIKey
CVLCFENWSHXLIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.88
TPSA
56.21

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.18

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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