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CAS 825-40-1 2-BROMO-4-CHLOROACETOPHENONE molecular structure lightbox
CAS RN: 825-40-1

2-BROMO-4-CHLOROACETOPHENONE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260216 1g In stock Inquiry
Batchno.20260106 250mg In stock Inquiry
Batchno.20260117 25g In stock Inquiry
Batchno.20260207 5g In stock Inquiry
  • Product code: SSC-190620
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 25g, 10g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 825-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
0.25g ≥98% 2 In Stock Shanghai Inquiry
5g ≥98% 2 In Stock Shanghai Inquiry
25g ≥98% 1 In Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

825-40-1 / 2-bromo-1-(4-chlorophenyl)ethanone

Standard CAS: 825-40-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
825-40-1
Multi CAS
Yes
Molecular Formula
C8H6BRCLO
Molecular Weight
233.490000
Exact Mass
231.929060
InChI
InChI=1S/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
FLAYZKKEOIAALB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
49.58
TPSA
17.07

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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