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CAS 528878-44-6 4-(Bromomethyl)-1-methyl-1H-pyrazole hydrobromide molecular structure lightbox
CAS RN: 528878-44-6

4-(Bromomethyl)-1-methyl-1H-pyrazole hydrobromide

  • Product code: SSC-160030
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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: 1g, 25g, 100g, 0.25g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 528878-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
25g >97% 2 In Stock Hong Kong Inquiry
100g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shanghai Inquiry

528878-44-6 / 4-(bromomethyl)-1-methylpyrazole;hydrobromide

Standard CAS: 528878-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
528878-44-6
Multi CAS
No
Molecular Formula
C5H8BR2N2
Molecular Weight
255.940000
Exact Mass
255.903370
InChI
InChI=1S/C5H7BrN2.BrH/c1-8-4-5(2-6)3-7-8;/h3-4H,2H2,1H3;1H
InChIKey
JUAZMXHMICDXKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.16
TPSA
17.82

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.89
Consensus LogP
1.82
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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