CAS RN: 19728-76-8
3-Ethoxycarbonylquinolizidine
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.20250115 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS19728-76-8
- Purity/Analytical Methods: >99.0%
19728-76-8 / ethyl (3R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
Basic Information
CAS
19728-76-8
Multi CAS
No
Molecular Formula
C12H21NO2
Molecular Weight
211.300000
Exact Mass
211.157229
SMILES
CCOC(=O)[C@@H]1CC[C@H]2CCCCN2C1
InChI
InChI=1S/C12H21NO2/c1-2-15-12(14)10-6-7-11-5-3-4-8-13(11)9-10/h10-11H,2-9H2,1H3/t10-,11-/m1/s1
InChIKey
ICWZXKPBSHGFEO-GHMZBOCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
58.57
TPSA
29.54
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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