CAS 400091-05-6 4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-β-D-galactopyranoside molecular structure

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CAS RN: 400091-05-6

4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-β-D-galactopyranoside

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4 package records4 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250607	1g	In stock	Inquiry
Batchno.20251219	250mg	In stock	Inquiry
Batchno.20250604	5g	In stock	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251227	250mg / 1g	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-147883

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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 400091-05-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

400091-05-6 / (2S,4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

Standard CAS: 400091-05-6 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

400091-05-6

Multi CAS

Yes

Molecular Formula

C23H26O7

Molecular Weight

414.400000

Exact Mass

414.167853

InChI

InChI=1S/C23H26O7/c1-3-13-26-21-19(24)23(28-17-11-9-16(25-2)10-12-17)29-18-14-27-22(30-20(18)21)15-7-5-4-6-8-15/h3-12,18-24H,1,13-14H2,2H3/t18-,19-,20+,21-,22+,23-/m1/s1

InChIKey

BALLDQXJTPWKTQ-IROFBDHCSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.39

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

108.23

TPSA

75.61

LogP / Solubility

WLOGP

2.85

MLOGP

2.53

XLogP3

2.8

Consensus LogP

2.73

Log S (ESOL)

-4.04

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.01

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.56

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)

-3.23

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-β-D-galactopyranoside

Product Availability

Historical Supply Reference

Reference Pack Sizes

400091-05-6 / (2S,4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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