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CAS 52545-13-8 2(1H)-Pyridinone,4-methoxy-(9CI) molecular structure lightbox
CAS RN: 52545-13-8

2(1H)-Pyridinone,4-methoxy-(9CI)

  • Product code: SSC-159658
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 52545-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

52545-13-8 / 4-methoxy-1H-pyridin-2-one

Standard CAS: 52545-13-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52545-13-8
Multi CAS
Yes
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
InChI
InChI=1S/C6H7NO2/c1-9-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
InChIKey
BZIUQZRSHNDQTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.61
TPSA
42.09

LogP / Solubility

WLOGP
0.38
MLOGP
0.33
XLogP3
-0.1
Consensus LogP
0.2
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-3.21

Drug-likeness / Medicinal Chemistry

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

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