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CAS 850568-69-3 3-(TETRAHYDRO-2H-PYRAN-2-YLOXY)PHENYLBORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 850568-69-3

3-(TETRAHYDRO-2H-PYRAN-2-YLOXY)PHENYLBORONIC ACID PINACOL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-193032
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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: 5g
  • 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 850568-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

850568-69-3 / 4,4,5,5-tetramethyl-2-[3-(oxan-2-yloxy)phenyl]-1,3,2-dioxaborolane

Standard CAS: 850568-69-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850568-69-3
Multi CAS
Yes
Molecular Formula
BC17H25O4
Molecular Weight
304.200000
Exact Mass
304.184589
InChI
InChI=1S/C17H25BO4/c1-16(2)17(3,4)22-18(21-16)13-8-7-9-14(12-13)20-15-10-5-6-11-19-15/h7-9,12,15H,5-6,10-11H2,1-4H3
InChIKey
RIOLVUFARFCCCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
86.38
TPSA
36.92

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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