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CAS 2106888-79-1 4,4,5,5-tetramethyl-2-(spiro[fluorene-9,9′-xanthen]-2′-yl)-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 2106888-79-1

4,4,5,5-tetramethyl-2-(spiro[fluorene-9,9′-xanthen]-2′-yl)-1,3,2-dioxaborolane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260507 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-100396
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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 2106888-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2106888-79-1 / 4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane

Standard CAS: 2106888-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2106888-79-1
Multi CAS
No
Molecular Formula
C31H27BO3
Molecular Weight
458.400000
Exact Mass
458.205325
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC4=CC=CC=C4C35C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C31H27BO3/c1-29(2)30(3,4)35-32(34-29)20-17-18-28-26(19-20)31(25-15-9-10-16-27(25)33-28)23-13-7-5-11-21(23)22-12-6-8-14-24(22)31/h5-19H,1-4H3
InChIKey
BMXVARCCEGLZLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.23
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
139.54
TPSA
27.69

LogP / Solubility

WLOGP
6.45
MLOGP
5.71
XLogP3
6.45
Consensus LogP
6.2
Log S (ESOL)
-7.19
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
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)
-0.93

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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