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CAS 1000342-95-9 6-(TRIFLUOROMETHYL)-4-BROMO INDAZOLE molecular structure lightbox
CAS RN: 1000342-95-9

6-(TRIFLUOROMETHYL)-4-BROMO INDAZOLE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 1g In stock Inquiry
Batchno.20250426 250mg In stock Inquiry
Batchno.20250803 50mg In stock Inquiry
Batchno.20250424 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250222 50mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-000154
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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, 5g, 10g
  • Available purity: ＞97%
  • 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 1000342-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

1000342-95-9 / 4-bromo-6-(trifluoromethyl)-1H-indazole

4-Bromo-6-(trifluoromethyl)-1H-indazole | DTXSID40646643 | RefChem:1070411

Standard CAS: 1000342-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000342-95-9
Multi CAS
No
Molecular Formula
C8H4BrF3N2
Molecular Weight
265.030000
Exact Mass
263.951000
SMILES
C1=C(C=C(C2=C1NN=C2)Br)C(F)(F)F
InChI
InChI=1S/C8H4BrF3N2/c9-6-1-4(8(10,11)12)2-7-5(6)3-13-14-7/h1-3H,(H,13,14)
InChIKey
JRUCLQINUHVRJW-UHFFFAOYSA-N
Synonyms
4-Bromo-6-(trifluoromethyl)-1H-indazole DTXSID40646643 RefChem:1070411 DTXCID50597394 4-Bromo-6-trifluoromethyl-indazole

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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