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CAS 889865-55-8 5-Bromo-1,4-dimethyl-1H-pyridin-2-one molecular structure lightbox
CAS RN: 889865-55-8

5-Bromo-1,4-dimethyl-1H-pyridin-2-one

  • Product code: SSC-200711
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 889865-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

889865-55-8 / 5-bromo-1,4-dimethylpyridin-2-one

Standard CAS: 889865-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
889865-55-8
Multi CAS
No
Molecular Formula
BC7H8ORn
Molecular Weight
202.050000
Exact Mass
200.978930
InChI
InChI=1S/C7H8BrNO/c1-5-3-7(10)9(2)4-6(5)8/h3-4H,1-2H3
InChIKey
VEFBADZSNWPVHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
Molar refractivity
44.12
TPSA
22

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
0.7
Consensus LogP
1.15
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-2.92

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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