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CAS 39954-19-3 2(1H)-Pyridinone,3,6-dihydroxy-(9CI) molecular structure lightbox
CAS RN: 39954-19-3

2(1H)-Pyridinone,3,6-dihydroxy-(9CI)

  • Product code: SSC-147774
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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: 0.1g, 0.25g, 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 39954-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

39954-19-3 / 5,6-dihydroxy-1H-pyridin-2-one

Standard CAS: 39954-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39954-19-3
Multi CAS
No
Molecular Formula
C5H5NO3
Molecular Weight
127.100000
Exact Mass
127.026943
InChI
InChI=1S/C5H5NO3/c7-3-1-2-4(8)6-5(3)9/h1-2,7H,(H2,6,8,9)
InChIKey
YXJHZIOEJRCYHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
30.39
TPSA
73.32

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.2
XLogP3
-0.6
Consensus LogP
-0.34
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
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)
-3.65

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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