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CAS 1000342-93-7 1H-Indole, 4-broMo-6-(trifluoroMethyl)- molecular structure lightbox
CAS RN: 1000342-93-7

1H-Indole, 4-broMo-6-(trifluoroMethyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-000153
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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
  • 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 1000342-93-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1000342-93-7 / 4-bromo-6-(trifluoromethyl)-1H-indole

4-Bromo-6-(trifluoromethyl)-1H-indole | 1H-Indole, 4-bromo-6-(trifluoromethyl)- | MFCD09026955

Standard CAS: 1000342-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000342-93-7
Multi CAS
No
Molecular Formula
C9H5BrF3N
Molecular Weight
264.040000
Exact Mass
262.955750
SMILES
C1=CNC2=C1C(=CC(=C2)C(F)(F)F)Br
InChI
InChI=1S/C9H5BrF3N/c10-7-3-5(9(11,12)13)4-8-6(7)1-2-14-8/h1-4,14H
InChIKey
GVQHXKQOACYLJU-UHFFFAOYSA-N
Synonyms
4-Bromo-6-(trifluoromethyl)-1H-indole 1H-Indole, 4-bromo-6-(trifluoromethyl)- MFCD09026955 SCHEMBL2426077 SCHEMBL29755364

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51
TPSA
15.79

LogP / Solubility

WLOGP
3.95
MLOGP
3.48
XLogP3
3.6
Consensus LogP
3.68
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

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

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