CAS RN: 287979-82-2
“9-Amino(9-deoxy)epi-quinidinetrihydrochloride”
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.20260326 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS287979-82-2
- Purity/Analytical Methods: >99.0%
287979-82-2 / (R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine
Basic Information
CAS
287979-82-2
Multi CAS
Yes
Molecular Formula
C20H25N3O
Molecular Weight
323.400000
Exact Mass
323.199762
InChI
InChI=1S/C20H25N3O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20H,1,7,9-10,12,21H2,2H3/t13-,14-,19+,20+/m0/s1
InChIKey
RIEKOKLABHBCGI-AFHBHXEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97
TPSA
51.38
LogP / Solubility
WLOGP
3.14
MLOGP
2.78
XLogP3
2.6
Consensus LogP
2.84
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8
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