CAS 40951-69-7 4-[Tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-hydroxymethylfuran-2-yl]-1,2-benzenediol molecular structure

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CAS RN: 40951-69-7

4-[Tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-hydroxymethylfuran-2-yl]-1,2-benzenediol

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2 package records0 with current stock2 grade groups

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250927	5mg	Out of stock	30 business days	Inquiry

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Product code: starshine_CAS40951-69-7
Purity/Analytical Methods: >99.0%

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40951-69-7 / 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol

Standard CAS: 40951-69-7 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

40951-69-7

Multi CAS

Yes

Molecular Formula

C19H22O6

Molecular Weight

346.400000

Exact Mass

346.141638

InChI

InChI=1S/C19H22O6/c1-24-18-7-11(2-4-16(18)22)6-13-10-25-19(14(13)9-20)12-3-5-15(21)17(23)8-12/h2-5,7-8,13-14,19-23H,6,9-10H2,1H3/t13-,14-,19+/m0/s1

InChIKey

SNZZAHRDXCGWEM-CKFHNAJUSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.37

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

90.89

TPSA

99.38

LogP / Solubility

WLOGP

2.35

MLOGP

2.09

XLogP3

2.1

Consensus LogP

2.18

Log S (ESOL)

-3.49

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.1

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.46

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.16

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

PAINS alerts

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

4-[Tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-hydroxymethylfuran-2-yl]-1,2-benzenediol

Product Availability

40951-69-7 / 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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