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CAS 1215205-65-4 4-Bromo-1-(2,6-dichlorophenyl)-1H-pyrazole molecular structure lightbox
CAS RN: 1215205-65-4

4-Bromo-1-(2,6-dichlorophenyl)-1H-pyrazole

  • Product code: SSC-024048
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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 1215205-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1215205-65-4 / 4-bromo-1-(2,6-dichlorophenyl)pyrazole

Standard CAS: 1215205-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215205-65-4
Multi CAS
No
Molecular Formula
C9H5BrCl2N2
Molecular Weight
291.960000
Exact Mass
289.901320
SMILES
C1=CC(=C(C(=C1)Cl)N2C=C(C=N2)Br)Cl
InChI
InChI=1S/C9H5BrCl2N2/c10-6-4-13-14(5-6)9-7(11)2-1-3-8(9)12/h1-5H
InChIKey
GPBJDPMTMSMWPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.28
TPSA
17.82

LogP / Solubility

WLOGP
3.94
MLOGP
3.48
XLogP3
3.8
Consensus LogP
3.74
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

Drug-likeness / Medicinal Chemistry

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

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