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CAS 1166819-53-9 1,2,4-Triazolo[4,3-a]pyridine, 6-broMo-3-(trifluoroMethyl)- molecular structure lightbox
CAS RN: 1166819-53-9

1,2,4-Triazolo[4,3-a]pyridine, 6-broMo-3-(trifluoroMethyl)-

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250121 1g In stock Inquiry
Batchno.20250214 250mg In stock Inquiry
Batchno.20250709 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260105 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260603 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250511 1g In stock Shanghai Inquiry
Batchno.20251010 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260111 5g In stock Shanghai Inquiry
  • Product code: SSC-016612
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1166819-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 4 In Stock Shenzhen Inquiry
0.25g ≥97% 4 In Stock Beijing Inquiry
1g ≥97% 4 In Stock Beijing Inquiry
5g ≥97% 3 In Stock Shanghai Inquiry

1166819-53-9 / 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-Bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine | 6-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridine | RefChem:540861

Standard CAS: 1166819-53-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1166819-53-9
Multi CAS
No
Molecular Formula
C7H3BrF3N3
Molecular Weight
266.020000
Exact Mass
264.946240
SMILES
C1=CC2=NN=C(N2C=C1Br)C(F)(F)F
InChI
InChI=1S/C7H3BrF3N3/c8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4/h1-3H
InChIKey
SYYNJBWDDYHXEY-UHFFFAOYSA-N
Synonyms
6-Bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 6-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridine RefChem:540861 997-541-6 MFCD11111700

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
45.69
TPSA
30.19

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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