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CAS 219763-82-3 4-HYDROXY-6-CYANOQUINOLINE molecular structure lightbox
CAS RN: 219763-82-3

4-HYDROXY-6-CYANOQUINOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS219763-82-3
  • Purity/Analytical Methods: >99.0%
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219763-82-3 / 4-oxo-1H-quinoline-6-carbonitrile

Standard CAS: 219763-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219763-82-3
Multi CAS
No
Molecular Formula
C10H6N2O
Molecular Weight
170.170000
Exact Mass
170.048013
SMILES
C1=CC2=C(C=C1C#N)C(=O)C=CN2
InChI
InChI=1S/C10H6N2O/c11-6-7-1-2-9-8(5-7)10(13)3-4-12-9/h1-5H,(H,12,13)
InChIKey
ZRQABNJYWSVSCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.28
TPSA
56.65

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
0.3
Consensus LogP
0.98
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.76

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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