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CAS 67570-53-0 3-BroMoquinoxaline-2-carbaldehyde molecular structure lightbox
CAS RN: 67570-53-0

3-BroMoquinoxaline-2-carbaldehyde

  • Product code: SSC-177265
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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: 0.25g, 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 67570-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

67570-53-0 / 3-bromoquinoxaline-2-carbaldehyde

Standard CAS: 67570-53-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67570-53-0
Multi CAS
No
Molecular Formula
BC9H5ORn2
Molecular Weight
237.050000
Exact Mass
235.958530
InChI
InChI=1S/C9H5BrN2O/c10-9-8(5-13)11-6-3-1-2-4-7(6)12-9/h1-5H
InChIKey
OBMPSZQDMGESNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.63
TPSA
42.85

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

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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