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CAS 2075-45-8 4-Bromopyrazole molecular structure lightbox
CAS RN: 2075-45-8

4-Bromopyrazole

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260626 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 1g / 5g / 25g / 100g / 500g / 1kg / 5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-097677
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2075-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 5 In Stock Beijing Inquiry
500g >98% 5 In Stock Shanghai Inquiry
1000g >98% 5 In Stock Beijing Inquiry

2075-45-8 / 4-bromo-1H-pyrazole

Standard CAS: 2075-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2075-45-8
Multi CAS
No
Molecular Formula
C3H3BrN2
Molecular Weight
146.970000
Exact Mass
145.947960
SMILES
C1=C(C=NN1)Br
InChI
InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey
WVGCPEDBFHEHEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.29
TPSA
28.68

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
0.3
Consensus LogP
0.83
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-2.78

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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