CAS RN: 59443-02-6
1-Methyl-2-undecyl-1,4-dihydroquinoline-4-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260412 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS59443-02-6
- Purity/Analytical Methods: >99.0%
59443-02-6 / 1-methyl-2-undecylquinolin-4-one
Basic Information
CAS
59443-02-6
Multi CAS
No
Molecular Formula
C21H31NO
Molecular Weight
313.500000
Exact Mass
313.240565
InChI
InChI=1S/C21H31NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h12-13,15-17H,3-11,14H2,1-2H3
InChIKey
ZLIHBZFNMQLPOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
100.12
TPSA
22
LogP / Solubility
WLOGP
5.61
MLOGP
4.95
XLogP3
7.2
Consensus LogP
5.92
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
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)
-0.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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