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CAS 957035-33-5 3-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyridazine molecular structure lightbox
CAS RN: 957035-33-5

3-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyridazine

  • Product code: SSC-211284
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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 957035-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

957035-33-5 / 3-(4-bromopyrazol-1-yl)-6-chloropyridazine

Standard CAS: 957035-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
957035-33-5
Multi CAS
No
Molecular Formula
C7H4BRCLN4
Molecular Weight
259.490000
Exact Mass
257.930790
InChI
InChI=1S/C7H4BrClN4/c8-5-3-10-13(4-5)7-2-1-6(9)11-12-7/h1-4H
InChIKey
KPQXONXRLAIKLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.86
TPSA
43.6

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
1.8
Consensus LogP
1.91
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

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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