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CAS 1630197-34-0 4-bromo-5-methoxypyridin-2(1H)-one molecular structure lightbox
CAS RN: 1630197-34-0

4-bromo-5-methoxypyridin-2(1H)-one

  • Product code: SSC-070563
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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, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 1630197-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 3 In Stock Shenzhen Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry

1630197-34-0 / 4-bromo-5-methoxy-1H-pyridin-2-one

Standard CAS: 1630197-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630197-34-0
Multi CAS
No
Molecular Formula
C6H6BrNO2
Molecular Weight
204.020000
Exact Mass
202.958190
SMILES
COC1=CNC(=O)C=C1Br
InChI
InChI=1S/C6H6BrNO2/c1-10-5-3-8-6(9)2-4(5)7/h2-3H,1H3,(H,8,9)
InChIKey
MGOKSZFSABRWIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.31
TPSA
42.09

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
0.3
Consensus LogP
0.82
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-3.15

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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