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CAS 15266-35-0 1-Methyl-2-tridecylquinolin-4(1H)-one molecular structure lightbox
CAS RN: 15266-35-0

1-Methyl-2-tridecylquinolin-4(1H)-one

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4 package records0 with current stock1 grade group
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Batchno.20250728 10mg Out of stock Inquiry
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  • Product code: starshine_CAS15266-35-0
  • Purity/Analytical Methods: >99.0%
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15266-35-0 / 1-methyl-2-tridecylquinolin-4-one

Standard CAS: 15266-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15266-35-0
Multi CAS
No
Molecular Formula
C23H35NO
Molecular Weight
341.500000
Exact Mass
341.271865
SMILES
CCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
InChI
InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3
InChIKey
DWHCRAGHDDLXEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.61
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
109.35
TPSA
22

LogP / Solubility

WLOGP
6.39
MLOGP
5.64
XLogP3
8.3
Consensus LogP
6.78
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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