CAS 54590-37-3 4-Bromo-m-terphenyl molecular structure

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CAS RN: 54590-37-3

4-Bromo-m-terphenyl

Product Availability

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20251024	1g / 5g / 25g	Out of stock	8-10 business days	Inquiry

Product code: SSC-162317

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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: 5g
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 54590-37-3
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥97%	0 Out of Stock	Shanghai	Inquiry

54590-37-3 / 1-bromo-4-(3-phenylphenyl)benzene

Standard CAS: 54590-37-3 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

54590-37-3

Multi CAS

Molecular Formula

C18H13BR

Molecular Weight

309.200000

Exact Mass

308.020060

InChI

InChI=1S/C18H13Br/c19-18-11-9-15(10-12-18)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13H

InChIKey

XWHCOAVJEOENNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

Molar refractivity

85.01

TPSA

0.0000

LogP / Solubility

WLOGP

5.78

MLOGP

5.1

XLogP3

5.9

Consensus LogP

5.59

Log S (ESOL)

-5.97

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.27

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-6.71

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-0.5

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

4-Bromo-m-terphenyl

Product Availability

Historical Supply Reference

Reference Pack Sizes

54590-37-3 / 1-bromo-4-(3-phenylphenyl)benzene

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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