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CAS 2142-63-4 3′-Bromoacetophenone molecular structure lightbox
CAS RN: 2142-63-4

3′-Bromoacetophenone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 5g / 25g / 100g / 500g / 1kg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-102678
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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: 10g, 25g, 100g, 500g, 1000g
  • 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 2142-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >98% 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
100g >98% 5 In Stock Beijing Inquiry
500g >98% 1 In Stock Shanghai Inquiry
1000g >98% 0 Out of Stock Hong Kong Inquiry

2142-63-4 / 1-(3-bromophenyl)ethanone

Standard CAS: 2142-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2142-63-4
Multi CAS
No
Molecular Formula
C8H7BrO
Molecular Weight
199.040000
Exact Mass
197.968030
SMILES
CC(=O)C1=CC(=CC=C1)Br
InChI
InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
InChIKey
JYAQYXOVOHJRCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.15
TPSA
17.07

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.6
Consensus LogP
2.53
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.05

Drug-likeness / Medicinal Chemistry

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

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