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CAS 608-21-9 1,2,3-Tribromobenzene molecular structure lightbox
CAS RN: 608-21-9

1,2,3-Tribromobenzene

  • Product code: SSC-169454
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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: ≥97%
  • 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 608-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

608-21-9 / 1,2,3-tribromobenzene

Standard CAS: 608-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
608-21-9
Multi CAS
No
Molecular Formula
C6H3BR3
Molecular Weight
314.800000
Exact Mass
313.776440
InChI
InChI=1S/C6H3Br3/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey
GMVJKSNPLYBFSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Molar refractivity
49.54
TPSA
0.0000

LogP / Solubility

WLOGP
3.97
MLOGP
3.51
XLogP3
4.3
Consensus LogP
3.93
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

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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