![CAS 1788041-48-4 methyl 5-aminobicyclo[3.2.2]nonane-1-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788041-48-4.gif)
CAS RN: 1788041-48-4
methyl 5-aminobicyclo[3.2.2]nonane-1-carboxylate hydrochloride
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.20260211 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1788041-48-4
- Purity/Analytical Methods: >99.0%
1788041-48-4 / methyl 5-aminobicyclo[3.2.2]nonane-1-carboxylate;hydrochloride
Basic Information
CAS
1788041-48-4
Multi CAS
No
Molecular Formula
C11H20ClNO2
Molecular Weight
233.730000
Exact Mass
233.118257
SMILES
COC(=O)C12CCCC(CC1)(CC2)N.Cl
InChI
InChI=1S/C11H19NO2.ClH/c1-14-9(13)10-3-2-4-11(12,7-5-10)8-6-10;/h2-8,12H2,1H3;1H
InChIKey
JQUXXJUDLGLIHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.93
TPSA
52.32
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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