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CAS 1346007-02-0 9,9-DiMethylfluorene-3-boronic acid pinacol ester molecular structure lightbox
CAS RN: 1346007-02-0

9,9-DiMethylfluorene-3-boronic acid pinacol ester

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 1g Out of stock Inquiry
  • Product code: SSC-042447
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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 1346007-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1346007-02-0 / 2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1346007-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346007-02-0
Multi CAS
No
Molecular Formula
C21H25BO2
Molecular Weight
320.200000
Exact Mass
320.194760
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(C4=CC=CC=C43)(C)C
InChI
InChI=1S/C21H25BO2/c1-19(2)17-10-8-7-9-15(17)16-13-14(11-12-18(16)19)22-23-20(3,4)21(5,6)24-22/h7-13H,1-6H3
InChIKey
HISQGSPPFXDPLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
99.72
TPSA
18.46

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.29
Consensus LogP
4.12
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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