![CAS 1427195-31-0 8-Amino-3-aza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427195-31-0.gif)
CAS RN: 1427195-31-0
8-Amino-3-aza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester 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.20251207 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1427195-31-0
- Purity/Analytical Methods: >99.0%
1427195-31-0 / tert-butyl 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
Basic Information
CAS
1427195-31-0
Multi CAS
No
Molecular Formula
C12H23ClN2O2
Molecular Weight
262.770000
Exact Mass
262.144806
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)C2N.Cl
InChI
InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-6-8-4-5-9(7-14)10(8)13;/h8-10H,4-7,13H2,1-3H3;1H
InChIKey
RFBKNDDSLDVXMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.24
TPSA
55.56
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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