CAS 448211-44-7 4,4,5,5-Tetramethyl-2-(6-methyl-1-cyclohexen-1-yl)-1,3,2-dioxaborolane molecular structure

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CAS RN: 448211-44-7

4,4,5,5-Tetramethyl-2-(6-methyl-1-cyclohexen-1-yl)-1,3,2-dioxaborolane

Product code: SSC-152779

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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: 0.1g, 0.25g, 1g, 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 448211-44-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥97%	0 Out of Stock	Hong Kong	Inquiry
0.25g	≥97%	0 Out of Stock	Shanghai	Inquiry
1g	≥97%	0 Out of Stock	Shenzhen	Inquiry
5g	≥97%	0 Out of Stock	Hong Kong	Inquiry

448211-44-7 / 4,4,5,5-tetramethyl-2-(6-methylcyclohexen-1-yl)-1,3,2-dioxaborolane

Standard CAS: 448211-44-7 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

448211-44-7

Multi CAS

Yes

Molecular Formula

BC13H23O2

Molecular Weight

222.130000

Exact Mass

222.179110

InChI

InChI=1S/C13H23BO2/c1-10-8-6-7-9-11(10)14-15-12(2,3)13(4,5)16-14/h9-10H,6-8H2,1-5H3

InChIKey

APVRBTBASYOFBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.85

Rotatable bonds

H-bond acceptors

Molar refractivity

67.18

TPSA

18.46

LogP / Solubility

WLOGP

3.36

MLOGP

2.96

XLogP3

3.36

Consensus LogP

3.23

Log S (ESOL)

-3.27

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.81

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4.02

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-1.69

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

4,4,5,5-Tetramethyl-2-(6-methyl-1-cyclohexen-1-yl)-1,3,2-dioxaborolane

Historical Supply Reference

Reference Pack Sizes

448211-44-7 / 4,4,5,5-tetramethyl-2-(6-methylcyclohexen-1-yl)-1,3,2-dioxaborolane

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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