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CAS 83947-58-4 4,4,5,5-Tetramethyl-2-((E)-propenyl)[1,3,2]dioxaborolane molecular structure lightbox
CAS RN: 83947-58-4

4,4,5,5-Tetramethyl-2-((E)-propenyl)[1,3,2]dioxaborolane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-191585
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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: 0.05g, 0.1g, 0.25g, 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 83947-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

83947-58-4 / 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane

Standard CAS: 83947-58-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83947-58-4
Multi CAS
Yes
Molecular Formula
BC9H17O2
Molecular Weight
168.040000
Exact Mass
168.132160
InChI
InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H,1-5H3/b7-6+
InChIKey
COPMASWDWLENMV-VOTSOKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.9
TPSA
18.46

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.19
Consensus LogP
2.1
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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