CAS RN: 545394-33-0
1-(7-amino-3,4-dihydroquinolin-1(2H)-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.20250812 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS545394-33-0
- Purity/Analytical Methods: >99.0%
545394-33-0 / 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
Basic Information
CAS
545394-33-0
Multi CAS
Yes
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
InChI
InChI=1S/C11H14N2O/c1-8(14)13-6-2-3-9-4-5-10(12)7-11(9)13/h4-5,7H,2-3,6,12H2,1H3
InChIKey
QPSYNMDBUGKTJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.2
TPSA
46.33
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1
Consensus LogP
1.32
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
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
1.5
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