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CAS 3398-16-1 4-Bromo-3,5-dimethylpyrazole molecular structure lightbox
CAS RN: 3398-16-1

4-Bromo-3,5-dimethylpyrazole

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250626 100g In stock Inquiry
Batchno.20260523 25g In stock Inquiry
Batchno.20251107 500g In stock Inquiry
Batchno.20250122 5g In stock Inquiry
  • Product code: SSC-140191
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3398-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 3 In Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

3398-16-1 / 4-bromo-3,5-dimethyl-1H-pyrazole

Standard CAS: 3398-16-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3398-16-1
Multi CAS
Yes
Molecular Formula
BC5H7Rn2
Molecular Weight
175.030000
Exact Mass
173.979260
InChI
InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey
RISOHYOEPYWKOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.76
TPSA
28.68

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.52

Drug-likeness / Medicinal Chemistry

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

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