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CAS 69155-80-2 7-Bromo-4-oxo-4H-chromene-3-carbaldehyde molecular structure lightbox
CAS RN: 69155-80-2

7-Bromo-4-oxo-4H-chromene-3-carbaldehyde

  • Product code: SSC-178783
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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
  • 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 69155-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

69155-80-2 / 7-bromo-4-oxochromene-3-carbaldehyde

Standard CAS: 69155-80-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69155-80-2
Multi CAS
Yes
Molecular Formula
C10H5BRO3
Molecular Weight
253.050000
Exact Mass
251.942210
InChI
InChI=1S/C10H5BrO3/c11-7-1-2-8-9(3-7)14-5-6(4-12)10(8)13/h1-5H
InChIKey
RHZCLJVPYDQHRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
55.57
TPSA
47.28

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.58

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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