CAS RN: 927996-40-5
1-(Cyclopropylcarbonyl)-1,2,3,4-tetrahydroquinolin-7-amine
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.20250910 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS927996-40-5
- Purity/Analytical Methods: >99.0%
927996-40-5 / (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopropylmethanone
Basic Information
CAS
927996-40-5
Multi CAS
No
Molecular Formula
C13H16N2O
Molecular Weight
216.280000
Exact Mass
216.126263
InChI
InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
InChIKey
ZNDAWHMDCROZJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.25
TPSA
46.33
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.4
Consensus LogP
1.69
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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