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CAS 67029-74-7 2-BROMO-1-(5-BROMO-2-HYDROXYPHENYL)ETHANONE molecular structure lightbox
CAS RN: 67029-74-7

2-BROMO-1-(5-BROMO-2-HYDROXYPHENYL)ETHANONE

  • Product code: SSC-176696
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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: 5g
  • 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 67029-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

67029-74-7 / 2-bromo-1-(5-bromo-2-hydroxyphenyl)ethanone

Standard CAS: 67029-74-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67029-74-7
Multi CAS
No
Molecular Formula
C8H6BR2O2
Molecular Weight
293.940000
Exact Mass
293.871410
InChI
InChI=1S/C8H6Br2O2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
InChIKey
FZIUHYVCSFQKFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.93
TPSA
37.3

LogP / Solubility

WLOGP
2.73
MLOGP
2.42
XLogP3
3.3
Consensus LogP
2.82
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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