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CAS 71856-54-7 5-Amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile molecular structure lightbox
CAS RN: 71856-54-7

5-Amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile

  • Product code: SSC-181394
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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 71856-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

71856-54-7 / 5-amino-1-(2-bromophenyl)pyrazole-4-carbonitrile

Standard CAS: 71856-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71856-54-7
Multi CAS
No
Molecular Formula
BC10H7Rn4
Molecular Weight
263.090000
Exact Mass
261.985410
InChI
InChI=1S/C10H7BrN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKey
ZSXCRGHOGAZHHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.39
TPSA
67.63

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
2.5
Consensus LogP
2.15
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

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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