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CAS 332883-19-9 6,8-DIMETHYL-2-OXO-1,2-DIHYDRO-3-QUINOLINECARBALDEHYDE molecular structure lightbox
CAS RN: 332883-19-9

6,8-DIMETHYL-2-OXO-1,2-DIHYDRO-3-QUINOLINECARBALDEHYDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS332883-19-9
  • Purity/Analytical Methods: >99.0%
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332883-19-9 / 6,8-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde

Standard CAS: 332883-19-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
332883-19-9
Multi CAS
Yes
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
InChI
InChI=1S/C12H11NO2/c1-7-3-8(2)11-9(4-7)5-10(6-14)12(15)13-11/h3-6H,1-2H3,(H,13,15)
InChIKey
SGLNASSZZCFBTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.43
TPSA
49.93

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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