CAS 68716-52-9 4,4,5,5-Tetramethyl-2-(1-naphthyl)-1,3,2-dioxaborolane molecular structure

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CAS RN: 68716-52-9

4,4,5,5-Tetramethyl-2-(1-naphthyl)-1,3,2-dioxaborolane

Product code: SSC-178407

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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: 25g
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 68716-52-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
25g	＞97%	0 Out of Stock	Hong Kong	Inquiry

68716-52-9 / 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane

Standard CAS: 68716-52-9 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

68716-52-9

Multi CAS

Yes

Molecular Formula

BC16H19O2

Molecular Weight

254.100000

Exact Mass

254.147810

InChI

InChI=1S/C16H19BO2/c1-15(2)16(3,4)19-17(18-15)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,1-4H3

InChIKey

WQGRAXGAXSNSDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.38

Rotatable bonds

H-bond acceptors

Molar refractivity

79.66

TPSA

18.46

LogP / Solubility

WLOGP

3.14

MLOGP

2.77

XLogP3

3.14

Consensus LogP

3.02

Log S (ESOL)

-3.72

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.91

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4.04

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.04

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

1.5

4,4,5,5-Tetramethyl-2-(1-naphthyl)-1,3,2-dioxaborolane

Historical Supply Reference

Reference Pack Sizes

68716-52-9 / 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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