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CAS 86938-64-9 4,5-dibromobenzene-1,2-dicarbonitrile molecular structure lightbox
CAS RN: 86938-64-9

4,5-dibromobenzene-1,2-dicarbonitrile

  • Product code: SSC-196281
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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: 0.1g, 0.25g, 5g, 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 86938-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 5 In Stock Shanghai Inquiry
0.25g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
1g ≥98% 1 In Stock Beijing Inquiry

86938-64-9 / 4,5-dibromobenzene-1,2-dicarbonitrile

Standard CAS: 86938-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86938-64-9
Multi CAS
No
Molecular Formula
C8H2BR2N2
Molecular Weight
285.920000
Exact Mass
285.856420
InChI
InChI=1S/C8H2Br2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
InChIKey
GWFFZICBNFSEIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
51.27
TPSA
47.58

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.7
Consensus LogP
2.75
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

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

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