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CAS 1008517-74-5 5-Hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one molecular structure lightbox
CAS RN: 1008517-74-5

5-Hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one

  • Product code: SSC-001583
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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: 5g
  • 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 1008517-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1008517-74-5 / 5-hydroxy-2-(oxan-2-yl)pyridazin-3-one

5-Hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one | 5-Hydroxy-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one | MFCD29048127

Standard CAS: 1008517-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1008517-74-5
Multi CAS
No
Molecular Formula
C9H12N2O3
Molecular Weight
196.200000
Exact Mass
196.084792
SMILES
C1CCOC(C1)N2C(=O)C=C(C=N2)O
InChI
InChI=1S/C9H12N2O3/c12-7-5-8(13)11(10-6-7)9-3-1-2-4-14-9/h5-6,9,12H,1-4H2
InChIKey
FYBANGAAMWXVEU-UHFFFAOYSA-N
Synonyms
5-Hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one 5-Hydroxy-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one MFCD29048127 5-Hydroxy-2-(tetrahydro-2H-pyran-2-yl)-3(2H)-pyridazinone SCHEMBL158414

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49
TPSA
64.35

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
0.2
Consensus LogP
0.47
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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