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CAS 97654-99-4 4,4′-Bis(bromomethyl)azobenzene molecular structure lightbox
CAS RN: 97654-99-4

4,4′-Bis(bromomethyl)azobenzene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250402 1g In stock Shanghai Inquiry
Batchno.20260624 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-212349
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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: ＞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 97654-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

97654-99-4 / bis[4-(bromomethyl)phenyl]diazene

Standard CAS: 97654-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97654-99-4
Multi CAS
No
Molecular Formula
C14H12BR2N2
Molecular Weight
368.070000
Exact Mass
367.934670
InChI
InChI=1S/C14H12Br2N2/c15-9-11-1-5-13(6-2-11)17-18-14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKey
ZLDYHLBNKHPRBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
82.32
TPSA
24.72

LogP / Solubility

WLOGP
5.89
MLOGP
5.2
XLogP3
4.8
Consensus LogP
5.3
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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