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CAS 642066-70-4 2-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-allyloxy]-tetrahydro-pyran molecular structure lightbox
CAS RN: 642066-70-4

2-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-allyloxy]-tetrahydro-pyran

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-173969
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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: 90%
  • 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 642066-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 90% 0 Out of Stock Shenzhen Inquiry

642066-70-4 / 4,4,5,5-tetramethyl-2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-1,3,2-dioxaborolane

Standard CAS: 642066-70-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
642066-70-4
Multi CAS
Yes
Molecular Formula
BC14H25O4
Molecular Weight
268.160000
Exact Mass
268.184589
InChI
InChI=1S/C14H25BO4/c1-13(2)14(3,4)19-15(18-13)9-7-11-17-12-8-5-6-10-16-12/h7,9,12H,5-6,8,10-11H2,1-4H3/b9-7+
InChIKey
MHSOBXCZCRNELG-VQHVLOKHSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
74.77
TPSA
36.92

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.72
Consensus LogP
2.61
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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