CAS 129575-88-8 4-Methoxyphenyl 3-O-Benzyl-4,6-O-benzylidene-2-deoxy-2-phthalimido-β-D-glucopyranoside molecular structure

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CAS RN: 129575-88-8

4-Methoxyphenyl 3-O-Benzyl-4,6-O-benzylidene-2-deoxy-2-phthalimido-β-D-glucopyranoside

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2 package records2 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250907	250mg	In stock		Inquiry
Batchno.20250921	250mg	In stock	Shanghai	Inquiry

Product code: SSC-036525

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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 129575-88-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞95%	0 Out of Stock	Shanghai	Inquiry

129575-88-8 / 2-[(4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione

Standard CAS: 129575-88-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

129575-88-8

Multi CAS

Molecular Formula

C35H31NO8

Molecular Weight

593.600000

Exact Mass

593.204967

SMILES

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)COC(O3)C4=CC=CC=C4)OCC5=CC=CC=C5)N6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C35H31NO8/c1-39-24-16-18-25(19-17-24)42-35-29(36-32(37)26-14-8-9-15-27(26)33(36)38)31(40-20-22-10-4-2-5-11-22)30-28(43-35)21-41-34(44-30)23-12-6-3-7-13-23/h2-19,28-31,34-35H,20-21H2,1H3/t28-,29-,30-,31-,34?,35-/m1/s1

InChIKey

WCCGRDKROUUDBC-VVYZZCQXSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.26

Rotatable bonds

H-bond acceptors

Molar refractivity

158.04

TPSA

92.76

LogP / Solubility

WLOGP

5.16

MLOGP

4.59

XLogP3

Consensus LogP

4.92

Log S (ESOL)

-6.65

Class (ESOL)

Insoluble

Log S (Ali)

-8.16

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-8.76

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.68

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.56

Brenk alerts

Leadlikeness

Synthetic Accessibility

4-Methoxyphenyl 3-O-Benzyl-4,6-O-benzylidene-2-deoxy-2-phthalimido-β-D-glucopyranoside

Product Availability

Historical Supply Reference

Reference Pack Sizes

129575-88-8 / 2-[(4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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