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CAS 1428234-73-4 4-Bromo-5-(trifluoromethyl)-1H-indazole molecular structure lightbox
CAS RN: 1428234-73-4

4-Bromo-5-(trifluoromethyl)-1H-indazole

  • Product code: SSC-054047
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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, 1g, 5g
  • 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 1428234-73-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1428234-73-4 / 4-bromo-5-(trifluoromethyl)-1H-indazole

Standard CAS: 1428234-73-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1428234-73-4
Multi CAS
No
Molecular Formula
C8H4BrF3N2
Molecular Weight
265.030000
Exact Mass
263.951000
SMILES
C1=CC2=C(C=NN2)C(=C1C(F)(F)F)Br
InChI
InChI=1S/C8H4BrF3N2/c9-7-4-3-13-14-6(4)2-1-5(7)8(10,11)12/h1-3H,(H,13,14)
InChIKey
TUTWVEKYKXGGIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.8
TPSA
28.68

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.1
Consensus LogP
3.13
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-1.96

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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