CAS 1820583-64-9 4-Methoxyphenyl 3-O-Allyl-6-O-benzyl-2-deoxy-2-phthalimido-β-D-glucopyranoside molecular structure

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CAS RN: 1820583-64-9

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

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250110	200mg / 1g	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-082817

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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 1820583-64-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Hong Kong	Inquiry

1820583-64-9 / 2-[(2S,3R,4R,5S,6R)-5-hydroxy-2-(4-methoxyphenoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]isoindole-1,3-dione

Standard CAS: 1820583-64-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1820583-64-9

Multi CAS

Molecular Formula

C31H31NO8

Molecular Weight

545.600000

Exact Mass

545.204967

SMILES

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O)OCC=C)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C31H31NO8/c1-3-17-38-28-26(32-29(34)23-11-7-8-12-24(23)30(32)35)31(39-22-15-13-21(36-2)14-16-22)40-25(27(28)33)19-37-18-20-9-5-4-6-10-20/h3-16,25-28,31,33H,1,17-19H2,2H3/t25-,26-,27-,28-,31-/m1/s1

InChIKey

UGQLXVORDHWCEW-WQBXQMBKSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.29

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

145.05

TPSA

103.76

LogP / Solubility

WLOGP

3.61

MLOGP

3.22

XLogP3

3.8

Consensus LogP

3.54

Log S (ESOL)

-5.11

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.64

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-7.52

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)

-3.48

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

7.5

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

Product Availability

Historical Supply Reference

Reference Pack Sizes

1820583-64-9 / 2-[(2S,3R,4R,5S,6R)-5-hydroxy-2-(4-methoxyphenoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]isoindole-1,3-dione

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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