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CAS 31827-94-8 2-Bromo-4′-iodoacetophenone molecular structure lightbox
CAS RN: 31827-94-8

2-Bromo-4′-iodoacetophenone

  • Product code: SSC-137276
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 31827-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

31827-94-8 / 2-bromo-1-(4-iodophenyl)ethanone

Standard CAS: 31827-94-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31827-94-8
Multi CAS
Yes
Molecular Formula
C8H6BRIO
Molecular Weight
324.940000
Exact Mass
323.864670
InChI
InChI=1S/C8H6BrIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
FSIBMLJFLPWMTD-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
57.28
TPSA
17.07

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
3
Consensus LogP
2.8
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

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

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