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CAS 89607-14-7 3,4-dibromo-1-methylpyrazole molecular structure lightbox
CAS RN: 89607-14-7

3,4-dibromo-1-methylpyrazole

  • Product code: SSC-201630
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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: ＞97%
  • 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 89607-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

89607-14-7 / 3,4-dibromo-1-methylpyrazole

Standard CAS: 89607-14-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89607-14-7
Multi CAS
No
Molecular Formula
C4H4BR2N2
Molecular Weight
239.900000
Exact Mass
239.872070
InChI
InChI=1S/C4H4Br2N2/c1-8-2-3(5)4(6)7-8/h2H,1H3
InChIKey
DIFVKLRTMZFVBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
38.61
TPSA
17.82

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.9
Consensus LogP
1.86
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.8

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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