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CAS 1353856-50-4 4-Bromo-1-(4-ethylphenyl)pyrazole molecular structure lightbox
CAS RN: 1353856-50-4

4-Bromo-1-(4-ethylphenyl)pyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-043645
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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 1353856-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1353856-50-4 / 4-bromo-1-(4-ethylphenyl)pyrazole

Standard CAS: 1353856-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353856-50-4
Multi CAS
No
Molecular Formula
C11H11BrN2
Molecular Weight
251.120000
Exact Mass
250.010560
SMILES
CCC1=CC=C(C=C1)N2C=C(C=N2)Br
InChI
InChI=1S/C11H11BrN2/c1-2-9-3-5-11(6-4-9)14-8-10(12)7-13-14/h3-8H,2H2,1H3
InChIKey
KRTNPRSXHKGDBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.64
TPSA
17.82

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
3.4
Consensus LogP
3.14
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-1.98

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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