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CAS 1206640-61-0 8-Chloro-6-(trifluoromethyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-amine molecular structure lightbox
CAS RN: 1206640-61-0

8-Chloro-6-(trifluoromethyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-amine

  • Product code: SSC-021714
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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 1206640-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1206640-61-0 / 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine | 8-chloro-6-(trifluoromethyl)-(1,2,4)triazolo(1,5-a)pyridin-2-amine | RefChem:547958

Standard CAS: 1206640-61-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1206640-61-0
Multi CAS
No
Molecular Formula
C7H4ClF3N4
Molecular Weight
236.580000
Exact Mass
236.007658
SMILES
C1=C(C2=NC(=NN2C=C1C(F)(F)F)N)Cl
InChI
InChI=1S/C7H4ClF3N4/c8-4-1-3(7(9,10)11)2-15-5(4)13-6(12)14-15/h1-2H,(H2,12,14)
InChIKey
LLAPLJGOFXCNFY-UHFFFAOYSA-N
Synonyms
8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine 8-chloro-6-(trifluoromethyl)-(1,2,4)triazolo(1,5-a)pyridin-2-amine RefChem:547958 938-955-9 8-Chloro-6-(trifluoromethyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-amine

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.41
TPSA
56.21

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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