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CAS 3823-19-6 2-BROMO-4′-(TRIFLUOROMETHYL)ACETANILIDE molecular structure lightbox
CAS RN: 3823-19-6

2-BROMO-4′-(TRIFLUOROMETHYL)ACETANILIDE

  • Product code: SSC-145761
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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 3823-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

3823-19-6 / N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide

Standard CAS: 3823-19-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3823-19-6
Multi CAS
Yes
Molecular Formula
BC9H7NORf3
Molecular Weight
282.060000
Exact Mass
280.966310
InChI
InChI=1S/C9H7BrF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKey
SSPBNPXYQLCJTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.45
TPSA
29.1

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
2.8
Consensus LogP
3.08
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

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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