CAS 889453-78-5 4-Methoxyphenyl 3-O-Allyl-2-azido-4,6-O-benzylidene-2-deoxy-β-D-glucopyranoside molecular structure

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CAS RN: 889453-78-5

4-Methoxyphenyl 3-O-Allyl-2-azido-4,6-O-benzylidene-2-deoxy-β-D-glucopyranoside

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3 package records2 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250607	1g	In stock		Inquiry
Batchno.20251201	250mg	In stock		Inquiry

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260302	250mg	Out of stock	5-7 business days	Inquiry

Product code: ICTM1638
Purity/Analytical Methods: >98.0%(HPLC)

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889453-78-5 / (2R,4aR,6S,7R,8R,8aS)-7-azido-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Standard CAS: 889453-78-5 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

889453-78-5

Multi CAS

Yes

Molecular Formula

C23H25N3O6

Molecular Weight

439.500000

Exact Mass

439.174336

InChI

InChI=1S/C23H25N3O6/c1-3-13-28-21-19(25-26-24)23(30-17-11-9-16(27-2)10-12-17)31-18-14-29-22(32-20(18)21)15-7-5-4-6-8-15/h3-12,18-23H,1,13-14H2,2H3/t18-,19-,20-,21-,22-,23-/m1/s1

InChIKey

TYEQNJAZZVSANI-YTAOHXRWSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.39

Rotatable bonds

H-bond acceptors

Molar refractivity

115.16

TPSA

104.14

LogP / Solubility

WLOGP

4.16

MLOGP

3.69

XLogP3

4.4

Consensus LogP

4.08

Log S (ESOL)

-4.94

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.17

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-6.93

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.44

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

PAINS alerts

Brenk alerts

Leadlikeness

Synthetic Accessibility

4-Methoxyphenyl 3-O-Allyl-2-azido-4,6-O-benzylidene-2-deoxy-β-D-glucopyranoside

Product Availability

889453-78-5 / (2R,4aR,6S,7R,8R,8aS)-7-azido-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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