CAS 36150-23-9 (3aβ,6aβ)-1β-(3,4-Dimethoxyphenyl)-4β-(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan molecular structure

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CAS RN: 36150-23-9

(3aβ,6aβ)-1β-(3,4-Dimethoxyphenyl)-4β-(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan

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Batchno.20251017	10mg	Out of stock	Inquiry
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Product code: starshine_CAS36150-23-9
Purity/Analytical Methods: >99.0%

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36150-23-9 / 5-[(3R,3aS,6S,6aS)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole

Standard CAS: 36150-23-9 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

36150-23-9

Multi CAS

Yes

Molecular Formula

C21H22O6

Molecular Weight

370.400000

Exact Mass

370.141638

InChI

InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m0/s1

InChIKey

AWOGQCSIVCQXBT-VUEDXXQZSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.43

Rotatable bonds

H-bond acceptors

Molar refractivity

96.48

TPSA

55.38

LogP / Solubility

WLOGP

3.51

MLOGP

3.11

XLogP3

2.8

Consensus LogP

3.14

Log S (ESOL)

-4.41

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.13

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.46

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.49

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

5.5

(3aβ,6aβ)-1β-(3,4-Dimethoxyphenyl)-4β-(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan

Product Availability

36150-23-9 / 5-[(3R,3aS,6S,6aS)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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