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CAS 160892-07-9 5-Bromo-1,3-benzenedicarbonitrile molecular structure lightbox
CAS RN: 160892-07-9

5-Bromo-1,3-benzenedicarbonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-068612
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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, 5g, 10g, 25g
  • 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 160892-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

160892-07-9 / 5-bromobenzene-1,3-dicarbonitrile

Standard CAS: 160892-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160892-07-9
Multi CAS
No
Molecular Formula
C8H3BrN2
Molecular Weight
207.030000
Exact Mass
205.947960
SMILES
C1=C(C=C(C=C1C#N)Br)C#N
InChI
InChI=1S/C8H3BrN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H
InChIKey
KEODZYDOBHDZOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
43.57
TPSA
47.58

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.1
Consensus LogP
2.07
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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