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CAS 57147-25-8 2(1H)-Pyridinone, 3,4-dihydro- molecular structure lightbox
CAS RN: 57147-25-8

2(1H)-Pyridinone, 3,4-dihydro-

  • Product code: SSC-165257
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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: ≥95%
  • 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 57147-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

57147-25-8 / 3,4-dihydro-1H-pyridin-2-one

Standard CAS: 57147-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57147-25-8
Multi CAS
No
Molecular Formula
C5H7NO
Molecular Weight
97.120000
Exact Mass
97.052764
InChI
InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,4H,1,3H2,(H,6,7)
InChIKey
ZPOODPZCZLCUAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.52
TPSA
29.1

LogP / Solubility

WLOGP
0.41
MLOGP
0.35
XLogP3
-0.1
Consensus LogP
0.22
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
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)
-3.02

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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