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CAS 1393728-48-7 4-Bromo-5-ethyl-1-methyl-1H-pyrazole molecular structure lightbox
CAS RN: 1393728-48-7

4-Bromo-5-ethyl-1-methyl-1H-pyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-049949
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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 1393728-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1393728-48-7 / 4-bromo-5-ethyl-1-methylpyrazole

Standard CAS: 1393728-48-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1393728-48-7
Multi CAS
No
Molecular Formula
C6H9BrN2
Molecular Weight
189.050000
Exact Mass
187.994910
SMILES
CCC1=C(C=NN1C)Br
InChI
InChI=1S/C6H9BrN2/c1-3-6-5(7)4-8-9(6)2/h4H,3H2,1-2H3
InChIKey
SYBHEVBKMQGBJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.29
TPSA
17.82

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.63

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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