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CAS 957034-94-5 4-Bromo-1-(3-chlorophenyl)-1H-pyrazole molecular structure lightbox
CAS RN: 957034-94-5

4-Bromo-1-(3-chlorophenyl)-1H-pyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-211278
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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 957034-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

957034-94-5 / 4-bromo-1-(3-chlorophenyl)pyrazole

Standard CAS: 957034-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
957034-94-5
Multi CAS
No
Molecular Formula
C9H6BRCLN2
Molecular Weight
257.510000
Exact Mass
255.940290
InChI
InChI=1S/C9H6BrClN2/c10-7-5-12-13(6-7)9-3-1-2-8(11)4-9/h1-6H
InChIKey
NBPPIFVBFATSSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.27
TPSA
17.82

LogP / Solubility

WLOGP
3.29
MLOGP
2.9
XLogP3
3.2
Consensus LogP
3.13
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-1.96

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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