CAS 96690-02-7 5-O-TERT-BUTYLDIPHENYLSILYL-2,3-O-ISOPROPYLIDENE-D-RIBOFURANOSE molecular structure

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CAS RN: 96690-02-7

5-O-TERT-BUTYLDIPHENYLSILYL-2,3-O-ISOPROPYLIDENE-D-RIBOFURANOSE

Product code: SSC-212085

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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

Pack sizes on record: 1g
Available purity: ≥95%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry

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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 96690-02-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Beijing	Inquiry

96690-02-7 / (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

Standard CAS: 96690-02-7 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

96690-02-7

Multi CAS

Yes

Molecular Formula

C24H32O5Si

Molecular Weight

428.600000

Exact Mass

428.201901

InChI

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

InChIKey

OOVHEXLXHQNNLL-NJTYFVPYSA-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

5-O-TERT-BUTYLDIPHENYLSILYL-2,3-O-ISOPROPYLIDENE-D-RIBOFURANOSE

Historical Supply Reference

Reference Pack Sizes

96690-02-7 / (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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