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CAS 439791-57-8 2,7-dibroMo-2′,7′-di-tert-butyl-9,9′-spirobi[fluorene] molecular structure lightbox
CAS RN: 439791-57-8

2,7-dibroMo-2′,7′-di-tert-butyl-9,9′-spirobi[fluorene]

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250727 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250308 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250415 25g Out of stock Inquiry
Batchno.20260619 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-152036
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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: ≥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 439791-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

439791-57-8 / 2',7'-dibromo-2,7-ditert-butyl-9,9'-spirobi[fluorene]

Standard CAS: 439791-57-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
439791-57-8
Multi CAS
No
Molecular Formula
C33H30BR2
Molecular Weight
586.400000
Exact Mass
586.069380
InChI
InChI=1S/C33H30Br2/c1-31(2,3)19-7-11-23-24-12-8-20(32(4,5)6)16-28(24)33(27(23)15-19)29-17-21(34)9-13-25(29)26-14-10-22(35)18-30(26)33/h7-18H,1-6H3
InChIKey
FYWHYOIWTKPZLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
2
Molar refractivity
155.54
TPSA
0.0000

LogP / Solubility

WLOGP
10.15
MLOGP
8.98
XLogP3
11.1
Consensus LogP
10.08
Log S (ESOL)
-10.38
Class (ESOL)
Insoluble
Log S (Ali)
-11.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.9
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)
0.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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