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CAS 3460-25-1 1-CHLORO-3,4,5-TRIBROMOBENZENE molecular structure lightbox
CAS RN: 3460-25-1

1-CHLORO-3,4,5-TRIBROMOBENZENE

  • Product code: SSC-141140
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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 3460-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3460-25-1 / 1,2,3-tribromo-5-chlorobenzene

Standard CAS: 3460-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3460-25-1
Multi CAS
No
Molecular Formula
C6H2BR3CL
Molecular Weight
349.240000
Exact Mass
347.737470
InChI
InChI=1S/C6H2Br3Cl/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChIKey
LFFJEPXOSKOCRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Molar refractivity
54.55
TPSA
0.0000

LogP / Solubility

WLOGP
4.63
MLOGP
4.09
XLogP3
4.6
Consensus LogP
4.44
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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)
-1.56

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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