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CAS 1083168-88-0 5-Bromo-1-[2-(methylsulfonyl)ethyl]pyridin-2(1H)-one molecular structure lightbox
CAS RN: 1083168-88-0

5-Bromo-1-[2-(methylsulfonyl)ethyl]pyridin-2(1H)-one

  • Product code: SSC-009658
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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, 1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1083168-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

1083168-88-0 / 5-bromo-1-(2-methylsulfonylethyl)pyridin-2-one

5-Bromo-1-[2-(methylsulfonyl)ethyl]pyridin-2(1H)-one | MFCD21642130 | 5-bromo-1-(2-methylsulfonylethyl)pyridin-2-one

Standard CAS: 1083168-88-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1083168-88-0
Multi CAS
Yes
Molecular Formula
C8H10BrNO3S
Molecular Weight
280.140000
Exact Mass
278.956480
SMILES
CS(=O)(=O)CCN1C=C(C=CC1=O)Br
InChI
InChI=1S/C8H10BrNO3S/c1-14(12,13)5-4-10-6-7(9)2-3-8(10)11/h2-3,6H,4-5H2,1H3
InChIKey
AGNQYMOWIBRFNN-UHFFFAOYSA-N
Synonyms
5-Bromo-1-[2-(methylsulfonyl)ethyl]pyridin-2(1H)-one MFCD21642130 5-bromo-1-(2-methylsulfonylethyl)pyridin-2-one 5-Bromo-1-(2-(methylsulfonyl)ethyl)pyridin-2(1H)-one 5-bromo-1-(2-methanesulfonylethyl)-1,2-dihydropyridin-2-one

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
58.11
TPSA
56.14

LogP / Solubility

WLOGP
0.66
MLOGP
0.59
XLogP3
0.2
Consensus LogP
0.48
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.96

Drug-likeness / Medicinal Chemistry

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

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