CAS 58743-81-0 4-Bromo-4′-propylbiphenyl molecular structure

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CAS RN: 58743-81-0

4-Bromo-4′-propylbiphenyl

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.20250129	5g	In stock	Shanghai	Inquiry

Product code: SSC-167064

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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
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 58743-81-0
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
25g	≥97%	0 Out of Stock	Shenzhen	Inquiry

58743-81-0 / 1-bromo-4-(4-propylphenyl)benzene

Standard CAS: 58743-81-0 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

58743-81-0

Multi CAS

Yes

Molecular Formula

C15H15BR

Molecular Weight

275.180000

Exact Mass

274.035710

InChI

InChI=1S/C15H15Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11H,2-3H2,1H3

InChIKey

DPERLOMMOVDOHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.2

Rotatable bonds

Molar refractivity

73.57

TPSA

0.0000

LogP / Solubility

WLOGP

5.07

MLOGP

4.47

XLogP3

5.6

Consensus LogP

5.05

Log S (ESOL)

-5.1

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.48

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-6.02

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-0.8

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

4-Bromo-4′-propylbiphenyl

Product Availability

Historical Supply Reference

Reference Pack Sizes

58743-81-0 / 1-bromo-4-(4-propylphenyl)benzene

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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