CAS 945865-80-5 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalaldehyde molecular structure

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CAS RN: 945865-80-5

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalaldehyde

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6 package records6 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260403	100mg	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu		Inquiry
Batchno.20251201	1g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan		Inquiry
Batchno.20250714	250mg	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu		Inquiry
Batchno.20250628	250mg / 1g / 5g / 25g	Confirm by inquiry	Shanghai, Guangdong	5-7 business days	Inquiry
Batchno.20260525	25g	In stock	Shanghai, Tianjin		Inquiry
Batchno.20250519	5g	In stock	Shanghai, Shenzhen, Tianjin, Chengdu		Inquiry

Product code: starshine_CAS945865-80-5
Purity/Analytical Methods: >99.0%

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945865-80-5 / 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarbaldehyde

Standard CAS: 945865-80-5 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

945865-80-5

Multi CAS

Molecular Formula

BC14H17O4

Molecular Weight

260.100000

Exact Mass

260.121989

InChI

InChI=1S/C14H17BO4/c1-13(2)14(3,4)19-15(18-13)12-6-10(8-16)5-11(7-12)9-17/h5-9H,1-4H3

InChIKey

WMIRGUBMRHFMNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.43

Rotatable bonds

H-bond acceptors

Molar refractivity

72.93

TPSA

52.6

LogP / Solubility

WLOGP

1.61

MLOGP

1.42

XLogP3

1.61

Consensus LogP

1.55

Log S (ESOL)

-2.5

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.86

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.05

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)

-3.16

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

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalaldehyde

Product Availability

945865-80-5 / 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarbaldehyde

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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