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CAS 5252-47-1 2,3-dihydropyrano[3,2-f]quinolin-1-one molecular structure lightbox
CAS RN: 5252-47-1

2,3-dihydropyrano[3,2-f]quinolin-1-one

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: LIND907241
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5252-47-1 / 2,3-dihydropyrano[3,2-f]quinolin-1-one

Standard CAS: 5252-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5252-47-1
Multi CAS
No
Molecular Formula
C12H9NO2
Molecular Weight
199.200000
Exact Mass
199.063329
InChI
InChI=1S/C12H9NO2/c14-10-5-7-15-11-4-3-9-8(12(10)11)2-1-6-13-9/h1-4,6H,5,7H2
InChIKey
WCHUCTUXZYNJKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.17
H-bond acceptors
3
Molar refractivity
56.19
TPSA
39.19

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
1.6
Consensus LogP
1.91
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

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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