CAS RN: 56234-25-4
1-(QUINOLIN-8-YL)ETHAN-1-AMINE 2HCl
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.20250614 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56234-25-4
- Purity/Analytical Methods: >99.0%
56234-25-4 / 1-quinolin-8-ylethanamine;dihydrochloride
Basic Information
CAS
56234-25-4
Multi CAS
No
Molecular Formula
C11H14CL2N2
Molecular Weight
245.140000
Exact Mass
244.053404
InChI
InChI=1S/C11H12N2.2ClH/c1-8(12)10-6-2-4-9-5-3-7-13-11(9)10;;/h2-8H,12H2,1H3;2*1H
InChIKey
PLJWJINASQQAJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.84
TPSA
38.91
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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