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CAS 288399-50-8 3-BROMO-6-ETHYLCHROMONE molecular structure lightbox
CAS RN: 288399-50-8

3-BROMO-6-ETHYLCHROMONE

  • Product code: SSC-130673
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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 288399-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

288399-50-8 / 3-bromo-6-ethylchromen-4-one

Standard CAS: 288399-50-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
288399-50-8
Multi CAS
Yes
Molecular Formula
C11H9BrO2
Molecular Weight
253.090000
Exact Mass
251.978590
InChI
InChI=1S/C11H9BrO2/c1-2-7-3-4-10-8(5-7)11(13)9(12)6-14-10/h3-6H,2H2,1H3
InChIKey
XIDGUEFLSKPUHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.56
TPSA
30.21

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.2
Consensus LogP
3.02
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.05

Drug-likeness / Medicinal Chemistry

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

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