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CAS 1161009-89-7 2-(9,9′-Spirobi[fluoren]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1161009-89-7

2-(9,9′-Spirobi[fluoren]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250403 200mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250625 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250612 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251113 25g Out of stock Inquiry
Batchno.20250103 5g In stock Shanghai Inquiry
  • Product code: SSC-016248
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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 1161009-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1161009-89-7 / 4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(9,9'-spirobi[9H-fluoren]-4-yl)-1,3,2-dioxaborolane | 4,4,5,5-Tetramethyl-2-(9,9'-spirobi(9H-fluoren)-4-yl)-1,3,2-dioxaborolane | RefChem:284839

Standard CAS: 1161009-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1161009-89-7
Multi CAS
No
Molecular Formula
C31H27BO2
Molecular Weight
442.400000
Exact Mass
442.210410
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C4=CC=CC=C4C5(C3=CC=C2)C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C31H27BO2/c1-29(2)30(3,4)34-32(33-29)27-19-11-18-26-28(27)22-14-7-10-17-25(22)31(26)23-15-8-5-12-20(23)21-13-6-9-16-24(21)31/h5-19H,1-4H3
InChIKey
GPTMWZAAIQOCLM-UHFFFAOYSA-N
Synonyms
4,4,5,5-tetramethyl-2-(9,9'-spirobi[9H-fluoren]-4-yl)-1,3,2-dioxaborolane 4,4,5,5-Tetramethyl-2-(9,9'-spirobi(9H-fluoren)-4-yl)-1,3,2-dioxaborolane RefChem:284839 2-(9,9'-Spirobi[fluoren]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane MFCD30187275

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.23
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
138.46
TPSA
18.46

LogP / Solubility

WLOGP
6.33
MLOGP
5.6
XLogP3
6.33
Consensus LogP
6.09
Log S (ESOL)
-7.03
Class (ESOL)
Insoluble
Log S (Ali)
-7.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.91
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)
-0.92

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
5.5

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