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CAS 288399-60-0 3,6,8-TRIBROMOCHROMONE molecular structure lightbox
CAS RN: 288399-60-0

3,6,8-TRIBROMOCHROMONE

  • Product code: SSC-130674
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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 288399-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

288399-60-0 / 3,6,8-tribromochromen-4-one

Standard CAS: 288399-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
288399-60-0
Multi CAS
No
Molecular Formula
C9H3Br3O2
Molecular Weight
382.830000
Exact Mass
381.766270
InChI
InChI=1S/C9H3Br3O2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-3H
InChIKey
AVDVRNRZQQNVPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
65.58
TPSA
30.21

LogP / Solubility

WLOGP
4.08
MLOGP
3.61
XLogP3
3.8
Consensus LogP
3.83
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

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