CAS 675126-26-8 2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile molecular structure

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CAS RN: 675126-26-8

2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile

Product code: SSC-177201

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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: 5g
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 675126-26-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥95%	0 Out of Stock	Shenzhen	Inquiry

675126-26-8 / 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrobenzonitrile

Standard CAS: 675126-26-8 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

675126-26-8

Multi CAS

Yes

Molecular Formula

C15H19N3O5

Molecular Weight

321.330000

Exact Mass

321.132471

InChI

InChI=1S/C15H19N3O5/c1-21-14-10-13(18(19)20)12(11-16)9-15(14)23-6-2-3-17-4-7-22-8-5-17/h9-10H,2-8H2,1H3

InChIKey

FYCDMKYKGPHRFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.53

Rotatable bonds

H-bond acceptors

Molar refractivity

81.73

TPSA

97.86

LogP / Solubility

WLOGP

1.58

MLOGP

1.4

XLogP3

1.4

Consensus LogP

1.46

Log S (ESOL)

-2.56

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.33

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.9

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.56

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

2.5

2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile

Historical Supply Reference

Reference Pack Sizes

675126-26-8 / 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrobenzonitrile

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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