CAS 4208-57-5 1-(2-FURYL)BUTAN-1-ONE molecular structure

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CAS RN: 4208-57-5

1-(2-FURYL)BUTAN-1-ONE

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3 package records2 with current stock3 grade groups

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250324	250mg / 1g / 5g	Confirm by inquiry	Shanghai, Shandong, Chongqing		Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250712	250mg	Out of stock		8-10 business days	Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250601	250mg / 1g / 5g	Confirm by inquiry	Shanghai	8-10 business days	Inquiry

Product code: starshine_CAS4208-57-5
Purity/Analytical Methods: >99.0%

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4208-57-5 / 1-(furan-2-yl)butan-1-one

Standard CAS: 4208-57-5 Multi CAS: Yes

Basic Information Physical Properties Computed Properties

Basic Information

CAS

4208-57-5

Multi CAS

Yes

Molecular Formula

C8H10O2

Molecular Weight

138.160000

Exact Mass

138.068080

InChI

InChI=1S/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3

InChIKey

GONWJZJNVDRECJ-UHFFFAOYSA-N

Physical Properties

Boiling Point

195.00 °C. @ 760.00 mm Hg

Density

1.050-1.056

Physical Description

Colourless liquid; Balsamic aroma

State

Liquid

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.38

Rotatable bonds

H-bond acceptors

Molar refractivity

37.95

TPSA

30.21

LogP / Solubility

WLOGP

2.26

MLOGP

1.98

XLogP3

1.3

Consensus LogP

1.85

Log S (ESOL)

-2.29

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.33

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.8

Class (SILICOS-IT)

Moderately 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)

-1.96

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

1-(2-FURYL)BUTAN-1-ONE

Product Availability

4208-57-5 / 1-(furan-2-yl)butan-1-one

Basic Information

Physical Properties

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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