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CAS 72824-05-6 4,4,5,5-Tetramethyl-2-(prop-1-enyl)-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 72824-05-6

4,4,5,5-Tetramethyl-2-(prop-1-enyl)-1,3,2-dioxaborolane

  • Product code: SSC-182320
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72824-05-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

72824-05-6 / 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane

Standard CAS: 72824-05-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72824-05-6
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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