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CAS 73281-56-8 4-hydroxy-1-Methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile molecular structure lightbox
CAS RN: 73281-56-8

4-hydroxy-1-Methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile

  • Product code: SSC-182744
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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 73281-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

73281-56-8 / 4-hydroxy-1-methyl-2-oxoquinoline-3-carbonitrile

Standard CAS: 73281-56-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73281-56-8
Multi CAS
Yes
Molecular Formula
C11H8N2O2
Molecular Weight
200.190000
Exact Mass
200.058578
InChI
InChI=1S/C11H8N2O2/c1-13-9-5-3-2-4-7(9)10(14)8(6-12)11(13)15/h2-5,14H,1H3
InChIKey
SOVQZHGSZJKNEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.57
TPSA
66.02

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1.4
Consensus LogP
1.17
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.89
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)
-3.15

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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