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CAS 254755-24-3 2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dihexylfluorene molecular structure lightbox
CAS RN: 254755-24-3

2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dihexylfluorene

Product Availability

Choose a grade to view its available package options.

5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250719 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250208 100mg Out of stock Inquiry
Batchno.20251226 1g Out of stock Inquiry
Batchno.20260128 250mg Out of stock Inquiry
Batchno.20250315 5g Out of stock Inquiry
  • Product code: SSC-121442
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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 254755-24-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

254755-24-3 / 2-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 254755-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
254755-24-3
Multi CAS
No
Molecular Formula
C37H56B2O4
Molecular Weight
586.500000
Exact Mass
586.436471
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C3(CCCCCC)CCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C
InChI
InChI=1S/C37H56B2O4/c1-11-13-15-17-23-37(24-18-16-14-12-2)31-25-27(38-40-33(3,4)34(5,6)41-38)19-21-29(31)30-22-20-28(26-32(30)37)39-42-35(7,8)36(9,10)43-39/h19-22,25-26H,11-18,23-24H2,1-10H3
InChIKey
SYMMYBWUPCWTEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
12
Fraction Csp3
0.68
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
181.61
TPSA
36.92

LogP / Solubility

WLOGP
8.49
MLOGP
7.52
XLogP3
8.49
Consensus LogP
8.17
Log S (ESOL)
-8.24
Class (ESOL)
Insoluble
Log S (Ali)
-10.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.96
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)
-0.27

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
5

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