CAS 5378-22-3 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole molecular structure

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CAS RN: 5378-22-3

2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

Product code: SSC-161160

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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 5378-22-3
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Hong Kong	Inquiry

5378-22-3 / 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

Standard CAS: 5378-22-3 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

5378-22-3

Multi CAS

Molecular Formula

C10H10N2O3

Molecular Weight

206.200000

Exact Mass

206.069142

InChI

InChI=1S/C10H10N2O3/c1-13-8-4-3-7(5-9(8)14-2)10-12-11-6-15-10/h3-6H,1-2H3

InChIKey

DOEYKWOSOXWMPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.2

Rotatable bonds

H-bond acceptors

Molar refractivity

52.84

TPSA

57.38

LogP / Solubility

WLOGP

1.75

MLOGP

1.54

XLogP3

1.4

Consensus LogP

1.56

Log S (ESOL)

-2.57

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.52

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.82

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.73

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

Historical Supply Reference

Reference Pack Sizes

5378-22-3 / 2-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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