CAS 58047-42-0 4-Bromo-4′,4”-dimethyltriphenylamine molecular structure

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CAS RN: 58047-42-0

4-Bromo-4′,4”-dimethyltriphenylamine

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250109	1g / 5g / 25g	Confirm by inquiry	Shanghai, Shandong, Guangdong	Inquiry

Product code: SSC-166253

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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: 25g, 100g
Available purity: ≥97%
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 58047-42-0
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
25g	≥97%	0 Out of Stock	Hong Kong	Inquiry
100g	≥97%	0 Out of Stock	Beijing	Inquiry

58047-42-0 / N-(4-bromophenyl)-4-methyl-N-(4-methylphenyl)aniline

Standard CAS: 58047-42-0 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

58047-42-0

Multi CAS

Yes

Molecular Formula

BC20H18Rn

Molecular Weight

352.300000

Exact Mass

351.062260

InChI

InChI=1S/C20H18BrN/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(21)8-14-20/h3-14H,1-2H3

InChIKey

YMNJJMJHTXGFOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.1

Rotatable bonds

H-bond acceptors

Molar refractivity

98.3

TPSA

3.24

LogP / Solubility

WLOGP

6.54

MLOGP

5.77

XLogP3

6.6

Consensus LogP

6.3

Log S (ESOL)

-6.55

Class (ESOL)

Insoluble

Log S (Ali)

-7.17

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-7.73

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-0.23

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

2.5

4-Bromo-4′,4”-dimethyltriphenylamine

Product Availability

Historical Supply Reference

Reference Pack Sizes

58047-42-0 / N-(4-bromophenyl)-4-methyl-N-(4-methylphenyl)aniline

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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