CAS 873203-36-2 1-bromo-4-(4-(trifluoromethoxy)phenoxy)benzene molecular structure

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CAS RN: 873203-36-2

1-bromo-4-(4-(trifluoromethoxy)phenoxy)benzene

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250611	100mg / 250mg / 1g	Out of stock	8-10 business days	Inquiry

Product code: starshine_CAS873203-36-2
Purity/Analytical Methods: >99.0%

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873203-36-2 / 1-bromo-4-[4-(trifluoromethoxy)phenoxy]benzene

Standard CAS: 873203-36-2 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

873203-36-2

Multi CAS

Molecular Formula

BC13H8O2Rf3

Molecular Weight

333.100000

Exact Mass

331.965980

InChI

InChI=1S/C13H8BrF3O2/c14-9-1-3-10(4-2-9)18-11-5-7-12(8-6-11)19-13(15,16)17/h1-8H

InChIKey

AZJYHXLZYCYEKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.08

Rotatable bonds

H-bond acceptors

Molar refractivity

67.34

TPSA

18.46

LogP / Solubility

WLOGP

5.14

MLOGP

4.54

XLogP3

5.3

Consensus LogP

4.99

Log S (ESOL)

-5.41

Class (ESOL)

Slightly soluble

Log S (Ali)

-6

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-6.45

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-1.1

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

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1-bromo-4-(4-(trifluoromethoxy)phenoxy)benzene

Product Availability

873203-36-2 / 1-bromo-4-[4-(trifluoromethoxy)phenoxy]benzene

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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