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CAS 79878-02-7 1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone molecular structure lightbox
CAS RN: 79878-02-7

1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-188905
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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: 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 79878-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

79878-02-7 / 1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone

Standard CAS: 79878-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79878-02-7
Multi CAS
No
Molecular Formula
BC10H5NORf3
Molecular Weight
292.050000
Exact Mass
290.950660
InChI
InChI=1S/C10H5BrF3NO/c11-5-1-2-6-7(4-15-8(6)3-5)9(16)10(12,13)14/h1-4,15H
InChIKey
NUILEHCMTCIUPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.38
TPSA
32.86

LogP / Solubility

WLOGP
3.68
MLOGP
3.25
XLogP3
4.1
Consensus LogP
3.68
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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)
-1.89

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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