CAS 190970-10-6 (3aR,5R,6R,6aR)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol* molecular structure

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CAS RN: 190970-10-6

(3aR,5R,6R,6aR)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol*

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250228	100mg / 250mg / 1g	Out of stock	5-7 business days	Inquiry

Product code: starshine_CAS190970-10-6
Purity/Analytical Methods: >99.0%

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190970-10-6 / (3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Standard CAS: 190970-10-6 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

190970-10-6

Multi CAS

Molecular Formula

C24H32O5Si

Molecular Weight

428.600000

Exact Mass

428.201901

SMILES

CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O)C

InChI

InChI=1S/C24H32O5Si/c1-23(2,3)30(17-12-8-6-9-13-17,18-14-10-7-11-15-18)26-16-19-20(25)21-22(27-19)29-24(4,5)28-21/h6-15,19-22,25H,16H2,1-5H3/t19-,20-,21-,22-/m1/s1

InChIKey

XJKAZNSYWAGYDQ-GXRSIYKFSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.5

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

118.28

TPSA

57.15

LogP / Solubility

WLOGP

2.8

MLOGP

2.49

XLogP3

2.8

Consensus LogP

2.7

Log S (ESOL)

-4.23

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.1

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.37

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)

-3.35

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

(3aR,5R,6R,6aR)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol*

Product Availability

190970-10-6 / (3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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