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CAS 449199-19-3 2,7,8-TRIMETHYLQUINOLIN-4-OL molecular structure lightbox
CAS RN: 449199-19-3

2,7,8-TRIMETHYLQUINOLIN-4-OL

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 1g In stock Inquiry
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  • Product code: starshine_CAS449199-19-3
  • Purity/Analytical Methods: >99.0%
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449199-19-3 / 2,7,8-trimethyl-1H-quinolin-4-one

Standard CAS: 449199-19-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
449199-19-3
Multi CAS
Yes
Molecular Formula
C12H13NO
Molecular Weight
187.240000
Exact Mass
187.099714
InChI
InChI=1S/C12H13NO/c1-7-4-5-10-11(14)6-8(2)13-12(10)9(7)3/h4-6H,1-3H3,(H,13,14)
InChIKey
UXTKZNADIFVKBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.78
TPSA
32.86

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.7
Consensus LogP
2.44
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.12

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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