CAS 741709-56-8 ETHYL PYRIDINE-4-BORONIC ACID PINACOL ESTER-2-CARBOXYLATE molecular structure

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CAS RN: 741709-56-8

ETHYL PYRIDINE-4-BORONIC ACID PINACOL ESTER-2-CARBOXYLATE

Product code: SSC-183594

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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

Pack sizes on record: 0.1g, 0.25g, 1g, 5g
Available purity: >95%
Inventory rows with stock: 4
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 741709-56-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>95%	4 In Stock	Shanghai	Inquiry
0.25g	>95%	4 In Stock	Hong Kong	Inquiry
1g	>95%	4 In Stock	Shanghai	Inquiry
5g	>95%	3 In Stock	Shenzhen	Inquiry

741709-56-8 / ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate

Standard CAS: 741709-56-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

741709-56-8

Multi CAS

Molecular Formula

BC14H20NO4

Molecular Weight

277.130000

Exact Mass

277.148538

InChI

InChI=1S/C14H20BNO4/c1-6-18-12(17)11-9-10(7-8-16-11)15-19-13(2,3)14(4,5)20-15/h7-9H,6H2,1-5H3

InChIKey

LYZOEGBEOXFVGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.57

Rotatable bonds

H-bond acceptors

Molar refractivity

75.91

TPSA

57.65

LogP / Solubility

WLOGP

1.56

MLOGP

1.38

XLogP3

1.56

Consensus LogP

1.5

Log S (ESOL)

-2.56

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.96

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.11

Class (SILICOS-IT)

Poorly 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)

-3.3

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

1.5

ETHYL PYRIDINE-4-BORONIC ACID PINACOL ESTER-2-CARBOXYLATE

Supply Overview & Packaging Options

Available Pack Sizes & Stock

741709-56-8 / ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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