CAS 663943-27-9 N,N-Bis(4-bromophenyl)-2,4,6-trimethylaniline molecular structure

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CAS RN: 663943-27-9

N,N-Bis(4-bromophenyl)-2,4,6-trimethylaniline

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260220	200mg / 1g / 5g	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-176067

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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 663943-27-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

663943-27-9 / N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline

Standard CAS: 663943-27-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

663943-27-9

Multi CAS

Molecular Formula

C21H19BR2N

Molecular Weight

445.200000

Exact Mass

444.986380

InChI

InChI=1S/C21H19Br2N/c1-14-12-15(2)21(16(3)13-14)24(19-8-4-17(22)5-9-19)20-10-6-18(23)7-11-20/h4-13H,1-3H3

InChIKey

XZCBYXUKPMELOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.14

Rotatable bonds

H-bond acceptors

Molar refractivity

110.74

TPSA

3.24

LogP / Solubility

WLOGP

7.61

MLOGP

6.72

XLogP3

7.6

Consensus LogP

7.31

Log S (ESOL)

-7.75

Class (ESOL)

Insoluble

Log S (Ali)

-8.7

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-9.23

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)

-0.03

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

2.5

N,N-Bis(4-bromophenyl)-2,4,6-trimethylaniline

Product Availability

Historical Supply Reference

Reference Pack Sizes

663943-27-9 / N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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