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CAS 80308-80-1 4-BROMO-1-VINYL-1H-PYRAZOLE molecular structure lightbox
CAS RN: 80308-80-1

4-BROMO-1-VINYL-1H-PYRAZOLE

  • Product code: SSC-189228
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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 80308-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

80308-80-1 / 4-bromo-1-ethenylpyrazole

Standard CAS: 80308-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80308-80-1
Multi CAS
No
Molecular Formula
BC5H5Rn2
Molecular Weight
173.010000
Exact Mass
171.963610
InChI
InChI=1S/C5H5BrN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2
InChIKey
XCFPSTHDQFDHPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.31
TPSA
17.82

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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