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CAS 24568-11-4 AcetaMide, N-(4-broMophenyl)-2,2,2-trifluoro- molecular structure lightbox
CAS RN: 24568-11-4

AcetaMide, N-(4-broMophenyl)-2,2,2-trifluoro-

  • Product code: SSC-119345
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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: ≥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 24568-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

24568-11-4 / N-(4-bromophenyl)-2,2,2-trifluoroacetamide

Standard CAS: 24568-11-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24568-11-4
Multi CAS
No
Molecular Formula
C8H5BrF3NO
Molecular Weight
268.030000
Exact Mass
266.950660
SMILES
C1=CC(=CC=C1NC(=O)C(F)(F)F)Br
InChI
InChI=1S/C8H5BrF3NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKey
VVFVNAMWSGDFCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.83
TPSA
29.1

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
3.3
Consensus LogP
2.95
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

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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