CAS 1464-44-4 Phenyl β-D-Glucopyranoside Hydrate molecular structure

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CAS RN: 1464-44-4

Phenyl β-D-Glucopyranoside Hydrate

Product Availability

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4 package records4 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260310	100g	In stock	Shanghai	Inquiry
Batchno.20250427	1g	In stock	Shanghai, Shenzhen, Tianjin, Chengdu	Inquiry
Batchno.20260220	25g	In stock	Shanghai, Shenzhen	Inquiry
Batchno.20250325	5g	In stock	Shanghai, Shenzhen	Inquiry

Product code: SSC-057451

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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: 25g
Available purity: ≥98%
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 1464-44-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
25g	≥98%	0 Out of Stock	Hong Kong	Inquiry

1464-44-4 / (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol

Standard CAS: 1464-44-4 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1464-44-4

Multi CAS

Molecular Formula

C12H16O6

Molecular Weight

256.250000

Exact Mass

256.094688

SMILES

C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1

InChIKey

NEZJDVYDSZTRFS-RMPHRYRLSA-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

60.84

TPSA

99.38

LogP / Solubility

WLOGP

-1.13

MLOGP

-0.99

XLogP3

-0.9

Consensus LogP

-1.01

Log S (ESOL)

-0.76

Class (ESOL)

Very soluble

Log S (Ali)

-0.84

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.74

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-5.09

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

Phenyl β-D-Glucopyranoside Hydrate

Product Availability

Historical Supply Reference

Reference Pack Sizes

1464-44-4 / (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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