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CAS 887568-63-0 6-BROMO-4-IODO-3-(1H)INDAZOLE CARBOXALDEHYDE molecular structure lightbox
CAS RN: 887568-63-0

6-BROMO-4-IODO-3-(1H)INDAZOLE CARBOXALDEHYDE

  • Product code: SSC-200321
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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 887568-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

887568-63-0 / 6-bromo-4-iodo-2H-indazole-3-carbaldehyde

Standard CAS: 887568-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887568-63-0
Multi CAS
No
Molecular Formula
C8H4BRIN2O
Molecular Weight
350.940000
Exact Mass
349.855170
InChI
InChI=1S/C8H4BrIN2O/c9-4-1-5(10)8-6(2-4)11-12-7(8)3-13/h1-3H,(H,11,12)
InChIKey
AGVUQKDQJJIFNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.9
TPSA
45.75

LogP / Solubility

WLOGP
2.74
MLOGP
2.43
XLogP3
2.7
Consensus LogP
2.62
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
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
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

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

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