CAS 79049-30-2 N-Desethyl AModiaquine Dihydrochloride molecular structure

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CAS RN: 79049-30-2

N-Desethyl AModiaquine Dihydrochloride

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20251005	1mg / 5mg	Out of stock	8-10 business days	Inquiry

Product code: SSC-188257

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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: 0.1g
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 79049-30-2
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

79049-30-2 / 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol;dihydrochloride

Standard CAS: 79049-30-2 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

79049-30-2

Multi CAS

Yes

Molecular Formula

C18H20CL3N3O

Molecular Weight

400.700000

Exact Mass

399.067195

InChI

InChI=1S/C18H18ClN3O.2ClH/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17;;/h3-10,20,23H,2,11H2,1H3,(H,21,22);2*1H

InChIKey

BCYBRFGUODDEGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.17

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

110.02

TPSA

57.18

LogP / Solubility

WLOGP

5.29

MLOGP

4.68

XLogP3

5.29

Consensus LogP

5.09

Log S (ESOL)

-5.8

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.67

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-7.26

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.41

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

PAINS alerts

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

N-Desethyl AModiaquine Dihydrochloride

Product Availability

Historical Supply Reference

Reference Pack Sizes

79049-30-2 / 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol;dihydrochloride

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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