CAS 65145-14-4 N,N-Dibenzyl-4-bromoaniline molecular structure

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CAS RN: 65145-14-4

N,N-Dibenzyl-4-bromoaniline

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.20251118	250mg / 1g / 5g / 25g	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-174802

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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 65145-14-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Hong Kong	Inquiry

65145-14-4 / N,N-dibenzyl-4-bromoaniline

Standard CAS: 65145-14-4 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

65145-14-4

Multi CAS

Yes

Molecular Formula

BC20H18Rn

Molecular Weight

352.300000

Exact Mass

351.062260

InChI

InChI=1S/C20H18BrN/c21-19-11-13-20(14-12-19)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2

InChIKey

RSFLPIGKWXARAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.1

Rotatable bonds

H-bond acceptors

Molar refractivity

96.91

TPSA

3.24

LogP / Solubility

WLOGP

5.66

MLOGP

XLogP3

5.7

Consensus LogP

5.45

Log S (ESOL)

-5.86

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.53

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-7.24

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)

-0.85

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

2.5

N,N-Dibenzyl-4-bromoaniline

Product Availability

Historical Supply Reference

Reference Pack Sizes

65145-14-4 / N,N-dibenzyl-4-bromoaniline

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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