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CAS 746630-34-2 1-(4-BroMo-2,6-difluoro-phenyl)-ethanone molecular structure lightbox
CAS RN: 746630-34-2

1-(4-BroMo-2,6-difluoro-phenyl)-ethanone

  • Product code: SSC-184112
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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
  • Available purity: ≥97%
  • 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 746630-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

746630-34-2 / 1-(4-bromo-2,6-difluorophenyl)ethanone

Standard CAS: 746630-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
746630-34-2
Multi CAS
No
Molecular Formula
BC8H5ORf2
Molecular Weight
235.020000
Exact Mass
233.949180
InChI
InChI=1S/C8H5BrF2O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-3H,1H3
InChIKey
TUDMLHCSUOCGMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.06
TPSA
17.07

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
2.5
Consensus LogP
2.67
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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
Leadlikeness
No
Synthetic Accessibility
1.5

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