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CAS 198964-46-4 2,7-Dibromo-9,9-di-n-octylfluorene molecular structure lightbox
CAS RN: 198964-46-4

2,7-Dibromo-9,9-di-n-octylfluorene

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250212 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251110 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20250606 1kg Out of stock Inquiry
Batchno.20260426 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260417 500g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250512 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-093695
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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: 25g
  • 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 198964-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

198964-46-4 / 2,7-dibromo-9,9-dioctylfluorene

Standard CAS: 198964-46-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
198964-46-4
Multi CAS
No
Molecular Formula
C29H40Br2
Molecular Weight
548.400000
Exact Mass
548.147630
SMILES
CCCCCCCCC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CCCCCCCC
InChI
InChI=1S/C29H40Br2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20H2,1-2H3
InChIKey
CYKLQIOPIMZZBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
14
Molar refractivity
144.04
TPSA
0.0000

LogP / Solubility

WLOGP
10.98
MLOGP
9.7
XLogP3
13.4
Consensus LogP
11.36
Log S (ESOL)
-9.52
Class (ESOL)
Insoluble
Log S (Ali)
-11.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.73

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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