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CAS 2384823-77-0 Ethanone, 1-[3-bromo-6-(trifluoromethyl)-2-pyridinyl]- molecular structure lightbox
CAS RN: 2384823-77-0

Ethanone, 1-[3-bromo-6-(trifluoromethyl)-2-pyridinyl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-116329
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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
  • 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 2384823-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

2384823-77-0 / 1-[3-bromo-6-(trifluoromethyl)-2-pyridinyl]ethanone

Standard CAS: 2384823-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2384823-77-0
Multi CAS
No
Molecular Formula
C8H5BrF3NO
Molecular Weight
268.030000
Exact Mass
266.950660
SMILES
CC(=O)C1=C(C=CC(=N1)C(F)(F)F)Br
InChI
InChI=1S/C8H5BrF3NO/c1-4(14)7-5(9)2-3-6(13-7)8(10,11)12/h2-3H,1H3
InChIKey
SUABKCVSCIAJRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.94
TPSA
29.96

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
2.5
Consensus LogP
2.76
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

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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