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CAS 1142953-56-7 4-(2-bromoethyl)-1H-Pyrazole molecular structure lightbox
CAS RN: 1142953-56-7

4-(2-bromoethyl)-1H-Pyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250120 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014135
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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 1142953-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1142953-56-7 / 4-(2-bromoethyl)-1H-pyrazole

5-(2-bromoethyl)-1H-imidazole | 4-Bromoethylimidazole | SCHEMBL4940854

Standard CAS: 1142953-56-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1142953-56-7
Multi CAS
Yes
Molecular Formula
C5H7BrN2
Molecular Weight
175.030000
Exact Mass
173.979260
SMILES
C1=C(C=NN1)CCBr
InChI
InChI=1S/C5H7BrN2/c6-2-1-5-3-7-8-4-5/h3-4H,1-2H2,(H,7,8)
InChIKey
JYBYTUYNMSBOFY-UHFFFAOYSA-N
Synonyms
5-(2-bromoethyl)-1H-imidazole 4-Bromoethylimidazole SCHEMBL4940854 EN300-1894837

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.09
TPSA
28.68

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
1.6
Consensus LogP
1.38
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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