CAS 91404-26-1 4-BROMO-4′-TERT-BUTYLBENZOPHENONE molecular structure

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CAS RN: 91404-26-1

4-BROMO-4′-TERT-BUTYLBENZOPHENONE

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.20251111	1g	Out of stock	15 business days	Inquiry

Product code: SSC-204442

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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 91404-26-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shanghai	Inquiry

91404-26-1 / (4-bromophenyl)-(4-tert-butylphenyl)methanone

Standard CAS: 91404-26-1 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

91404-26-1

Multi CAS

Molecular Formula

C17H17BRO

Molecular Weight

317.200000

Exact Mass

316.046280

InChI

InChI=1S/C17H17BrO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h4-11H,1-3H3

InChIKey

YBWSLOFBLDMJLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.24

Rotatable bonds

H-bond acceptors

Molar refractivity

82.72

TPSA

17.07

LogP / Solubility

WLOGP

4.98

MLOGP

4.39

XLogP3

5.6

Consensus LogP

4.99

Log S (ESOL)

-5.28

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.76

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-6.09

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)

-1.12

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

4-BROMO-4′-TERT-BUTYLBENZOPHENONE

Product Availability

Historical Supply Reference

Reference Pack Sizes

91404-26-1 / (4-bromophenyl)-(4-tert-butylphenyl)methanone

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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