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CAS RN: 1516675-27-6
1-(8-methyl-3-quinolyl)ethanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250624 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1516675-27-6
- Purity/Analytical Methods: >99.0%
1516675-27-6 / 1-(8-methylquinolin-3-yl)ethanone
Basic Information
CAS
1516675-27-6
Multi CAS
No
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
SMILES
CC1=C2C(=CC=C1)C=C(C=N2)C(=O)C
InChI
InChI=1S/C12H11NO/c1-8-4-3-5-10-6-11(9(2)14)7-13-12(8)10/h3-7H,1-2H3
InChIKey
SICCGLCRKPFNRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.48
TPSA
29.96
LogP / Solubility
WLOGP
2.75
MLOGP
2.41
XLogP3
2.1
Consensus LogP
2.42
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-1.9
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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