CAS 68424-85-1 Alkyl(40%C12,50%C14,10%C16) dimethyl benzyl ammonium chloride molecular structure

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CAS RN: 68424-85-1

Alkyl(40%C12,50%C14,10%C16) dimethyl benzyl ammonium chloride

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5 package records4 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260415	100g	In stock	Shanghai, Shandong, Guangdong		Inquiry
Batchno.20250712	2.5kg	Out of stock		5-7 business days	Inquiry
Batchno.20260225	25g	In stock	Shanghai, Shandong, Hebei		Inquiry
Batchno.20260228	500g	In stock	Shandong		Inquiry
Batchno.20260421	5g	In stock	Shanghai, Guangdong		Inquiry

Product code: LINB824368

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68424-85-1 / benzyl-dimethyl-tetradecylazanium chloride

Standard CAS: 68424-85-1 Multi CAS: Yes

Basic Information Physical Properties Computed Properties

Basic Information

CAS

68424-85-1

Multi CAS

Yes

Molecular Formula

C23H42CLN

Molecular Weight

368.000000

Exact Mass

367.300578

InChI

InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1

InChIKey

OCBHHZMJRVXXQK-UHFFFAOYSA-M

Physical Properties

Melting Point

60-61 °C

Physical Description

Liquid White solid; [HSDB] White powder

Appearance

Free-flowing powder White crystalline powder

State

Liquid

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.74

Rotatable bonds

H-bond acceptors

Molar refractivity

108.2

TPSA

0.0000

LogP / Solubility

WLOGP

3.97

MLOGP

3.51

XLogP3

3.97

Consensus LogP

3.82

Log S (ESOL)

-3.81

Class (ESOL)

Poorly soluble

Log S (Ali)

-5.44

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-7.15

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.15

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

Alkyl(40%C12,50%C14,10%C16) dimethyl benzyl ammonium chloride

Product Availability

68424-85-1 / benzyl-dimethyl-tetradecylazanium chloride

Basic Information

Physical Properties

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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