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CAS 957062-81-6 4-Bromo-1-(2-fluorophenyl)-1H-pyrazole molecular structure lightbox
CAS RN: 957062-81-6

4-Bromo-1-(2-fluorophenyl)-1H-pyrazole

  • Product code: SSC-211313
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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 957062-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

957062-81-6 / 4-bromo-1-(2-fluorophenyl)pyrazole

Standard CAS: 957062-81-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
957062-81-6
Multi CAS
No
Molecular Formula
BC9H6N2Rf
Molecular Weight
241.060000
Exact Mass
239.969840
InChI
InChI=1S/C9H6BrFN2/c10-7-5-12-13(6-7)9-4-2-1-3-8(9)11/h1-6H
InChIKey
OHWIDXFFPCMKLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.22
TPSA
17.82

LogP / Solubility

WLOGP
2.77
MLOGP
2.45
XLogP3
2.7
Consensus LogP
2.64
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-2.22

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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