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CAS 51851-79-7 Diisopropyl Allylboronate molecular structure lightbox
CAS RN: 51851-79-7

Diisopropyl Allylboronate

  • Product code: SSC-158877
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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: ≥98%
  • 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 51851-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

51851-79-7 / di(propan-2-yloxy)-prop-2-enylborane

Standard CAS: 51851-79-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51851-79-7
Multi CAS
Yes
Molecular Formula
BC9H19O2
Molecular Weight
170.060000
Exact Mass
170.147810
InChI
InChI=1S/C9H19BO2/c1-6-7-10(11-8(2)3)12-9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKey
LWPLTONTMJTRJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
53.2
TPSA
18.46

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.51
Consensus LogP
2.41
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly 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)
-1.97

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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