CAS 2887-72-1 3′,5′-Dibromo-4′-hydroxyacetophenone molecular structure

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CAS RN: 2887-72-1

3′,5′-Dibromo-4′-hydroxyacetophenone

Product Availability

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3 package records3 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20260130	1g	In stock	Inquiry
Batchno.20251110	25g	In stock	Inquiry
Batchno.20250805	5g	In stock	Inquiry

Product code: SSC-130737

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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 2887-72-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	＞97%	0 Out of Stock	Shanghai	Inquiry

2887-72-1 / 1-(3,5-dibromo-4-hydroxyphenyl)ethanone

Standard CAS: 2887-72-1 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

2887-72-1

Multi CAS

Yes

Molecular Formula

C8H6BR2O2

Molecular Weight

293.940000

Exact Mass

293.871410

InChI

InChI=1S/C8H6Br2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3

InChIKey

ZNWPTJSBHHIXLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

53.51

TPSA

37.3

LogP / Solubility

WLOGP

3.12

MLOGP

2.76

XLogP3

3.4

Consensus LogP

3.09

Log S (ESOL)

-3.93

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.22

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.28

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.3

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

1.5

3′,5′-Dibromo-4′-hydroxyacetophenone

Product Availability

Historical Supply Reference

Reference Pack Sizes

2887-72-1 / 1-(3,5-dibromo-4-hydroxyphenyl)ethanone

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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