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CAS 226070-05-9 2-Bromo-9,9-dihexylfluorene molecular structure lightbox
CAS RN: 226070-05-9

2-Bromo-9,9-dihexylfluorene

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 1g In stock Shanghai Inquiry
Batchno.20250814 25g In stock Shandong Inquiry
Batchno.20260223 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260105 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250904 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-110462
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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: 10g
  • 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 226070-05-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

226070-05-9 / 2-bromo-9,9-dihexylfluorene

Standard CAS: 226070-05-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226070-05-9
Multi CAS
No
Molecular Formula
C25H33Br
Molecular Weight
413.400000
Exact Mass
412.176560
SMILES
CCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCCCC
InChI
InChI=1S/C25H33Br/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25/h9-10,13-16,19H,3-8,11-12,17-18H2,1-2H3
InChIKey
NNYSRQDAPSNOKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
10
Molar refractivity
117.88
TPSA
0.0000

LogP / Solubility

WLOGP
8.66
MLOGP
7.64
XLogP3
10.5
Consensus LogP
8.93
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-9.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.73
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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