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CAS 1428532-78-8 6-broMo-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one molecular structure lightbox
CAS RN: 1428532-78-8

6-broMo-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-054087
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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: 0.25g
  • 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 1428532-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1428532-78-8 / 6-bromo-8-(trifluoromethyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Standard CAS: 1428532-78-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1428532-78-8
Multi CAS
No
Molecular Formula
C7H3BrF3N3O
Molecular Weight
282.020000
Exact Mass
280.941160
SMILES
C1=C(C2=NNC(=O)N2C=C1Br)C(F)(F)F
InChI
InChI=1S/C7H3BrF3N3O/c8-3-1-4(7(9,10)11)5-12-13-6(15)14(5)2-3/h1-2H,(H,13,15)
InChIKey
DQAJFDKAHCIBDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.51
TPSA
50.16

LogP / Solubility

WLOGP
1.8
MLOGP
1.6
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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