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CAS 89691-67-8 1-(2-BroMo-4-Methoxy-phenyl)-ethanone molecular structure lightbox
CAS RN: 89691-67-8

1-(2-BroMo-4-Methoxy-phenyl)-ethanone

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250527 1g In stock Inquiry
Batchno.20260516 250mg In stock Inquiry
Batchno.20250723 25g In stock Inquiry
Batchno.20251008 5g In stock Inquiry
  • Product code: SSC-201730
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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, 5g, 10g, 0.25g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 89691-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 4 In Stock Shanghai Inquiry
10g ≥97% 3 In Stock Shenzhen Inquiry
0.25g ≥97% 2 In Stock Shanghai Inquiry
25g ≥97% 2 In Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

89691-67-8 / 1-(2-bromo-4-methoxyphenyl)ethanone

Standard CAS: 89691-67-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89691-67-8
Multi CAS
Yes
Molecular Formula
C9H9BRO2
Molecular Weight
229.070000
Exact Mass
227.978590
InChI
InChI=1S/C9H9BrO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3
InChIKey
YCISNMVJZZPXBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.7
TPSA
26.3

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.23

Drug-likeness / Medicinal Chemistry

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

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