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CAS 865449-63-4 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone molecular structure lightbox
CAS RN: 865449-63-4

1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone

  • Product code: SSC-195702
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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: 5g, 10g, 25g, 0.1g, 0.25g, 1g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 865449-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
10g >95% 3 In Stock Beijing Inquiry
25g >95% 3 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
100g >95% 0 Out of Stock Beijing Inquiry

865449-63-4 / 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone

Standard CAS: 865449-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865449-63-4
Multi CAS
No
Molecular Formula
BC8H6O2Rf
Molecular Weight
233.030000
Exact Mass
231.953520
InChI
InChI=1S/C8H6BrFO2/c1-4(11)5-2-7(10)6(9)3-8(5)12/h2-3,12H,1H3
InChIKey
GHCKGFMOZIFIDT-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
2
H-bond donors
1
Molar refractivity
45.77
TPSA
37.3

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.37

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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