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CAS 679836-60-3 1,5-Dibromo-2,4-difluoro-3-iodobenzene molecular structure lightbox
CAS RN: 679836-60-3

1,5-Dibromo-2,4-difluoro-3-iodobenzene

  • Product code: SSC-177718
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g, 5g, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 679836-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 3 In Stock Hong Kong Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

679836-60-3 / 1,5-dibromo-2,4-difluoro-3-iodobenzene

Standard CAS: 679836-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
679836-60-3
Multi CAS
No
Molecular Formula
C6HBR2F2I
Molecular Weight
397.780000
Exact Mass
397.743730
InChI
InChI=1S/C6HBr2F2I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
KVZXRRIPHIFRIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
54.48
TPSA
0.0000

LogP / Solubility

WLOGP
4.09
MLOGP
3.63
XLogP3
4.2
Consensus LogP
3.97
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
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
Yes
Log Kp (skin permeation)
-2.24

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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