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CAS 941294-23-1 2-Bromo-N-tert-butyl-5-fluorobenzamide molecular structure lightbox
CAS RN: 941294-23-1

2-Bromo-N-tert-butyl-5-fluorobenzamide

  • Product code: SSC-208683
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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 941294-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

941294-23-1 / 2-bromo-N-tert-butyl-5-fluorobenzamide

Standard CAS: 941294-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
941294-23-1
Multi CAS
No
Molecular Formula
BC11H13NORf
Molecular Weight
274.130000
Exact Mass
273.016450
InChI
InChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)8-6-7(13)4-5-9(8)12/h4-6H,1-3H3,(H,14,15)
InChIKey
SSXSKZCGJIFORU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.32
TPSA
29.1

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3
Consensus LogP
2.96
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
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)
-2.18

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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