CAS 129575-89-9 4-Methoxyphenyl 3,6-Di-O-benzyl-2-deoxy-2-phthalimido-β-D-glucopyranoside molecular structure

lightbox

CAS RN: 129575-89-9

4-Methoxyphenyl 3,6-Di-O-benzyl-2-deoxy-2-phthalimido-β-D-glucopyranoside

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260607	250mg	In stock	Shanghai	Inquiry

Product code: SSC-036526

GET A QUOTE

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

Request Bulk Quote

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 129575-89-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞95%	0 Out of Stock	Hong Kong	Inquiry

129575-89-9 / 2-[(2S,3R,4R,5S,6R)-5-hydroxy-2-(4-methoxyphenoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione

Standard CAS: 129575-89-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

129575-89-9

Multi CAS

Molecular Formula

C35H33NO8

Molecular Weight

595.600000

Exact Mass

595.220617

SMILES

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C35H33NO8/c1-40-25-16-18-26(19-17-25)43-35-30(36-33(38)27-14-8-9-15-28(27)34(36)39)32(42-21-24-12-6-3-7-13-24)31(37)29(44-35)22-41-20-23-10-4-2-5-11-23/h2-19,29-32,35,37H,20-22H2,1H3/t29-,30-,31-,32-,35-/m1/s1

InChIKey

QKFDXGIKVGVBGT-PVEIOGNQSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.26

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

160.14

TPSA

103.76

LogP / Solubility

WLOGP

4.63

MLOGP

4.12

XLogP3

4.6

Consensus LogP

4.45

Log S (ESOL)

-6.13

Class (ESOL)

Insoluble

Log S (Ali)

-7.78

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-8.69

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)

-3.07

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

4-Methoxyphenyl 3,6-Di-O-benzyl-2-deoxy-2-phthalimido-β-D-glucopyranoside

Product Availability

Historical Supply Reference

Reference Pack Sizes

129575-89-9 / 2-[(2S,3R,4R,5S,6R)-5-hydroxy-2-(4-methoxyphenoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

Customers Also Viewed

Phenyl 3,4,6-Tri-O-acetyl-2-deoxy-1-thio-2-(2,2,2-trichloroethoxyformamido)-β-D-glucopyranoside

3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl 2,2,2-Trichloroacetimidate

4-Methoxyphenyl 4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-phthalimido-β-D-glucopyranoside

Methyl 3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-1-thio-β-D-glucopyranoside

2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-glucopyranosyl Chloride

Methyl 5-N,4-O-Carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-β-D-galacto-2-nonulopyranosylonate

Get In Touch