CAS RN: 1934626-74-0
1-(3-aminoquinolin-6-yl)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.20251218 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1934626-74-0
- Purity/Analytical Methods: >99.0%
1934626-74-0 / 1-(3-aminoquinolin-6-yl)ethanone
Basic Information
CAS
1934626-74-0
Multi CAS
No
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
SMILES
CC(=O)C1=CC2=CC(=CN=C2C=C1)N
InChI
InChI=1S/C11H10N2O/c1-7(14)8-2-3-11-9(4-8)5-10(12)6-13-11/h2-6H,12H2,1H3
InChIKey
SYOQTSNGHODKIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.16
TPSA
55.98
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
0.9
Consensus LogP
1.57
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.42
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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