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CAS 865156-34-9 5-bromo-3-iodo-1-methyl-1H-indazole molecular structure lightbox
CAS RN: 865156-34-9

5-bromo-3-iodo-1-methyl-1H-indazole

  • Product code: SSC-195644
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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 865156-34-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

865156-34-9 / 5-bromo-3-iodo-1-methylindazole

Standard CAS: 865156-34-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865156-34-9
Multi CAS
No
Molecular Formula
C8H6BRIN2
Molecular Weight
336.950000
Exact Mass
335.875910
InChI
InChI=1S/C8H6BrIN2/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h2-4H,1H3
InChIKey
KDKLJZGIJMKMRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
61.13
TPSA
17.82

LogP / Solubility

WLOGP
2.94
MLOGP
2.6
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

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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