![CAS 1523530-50-8 exo-8-Azabicyclo[3.2.1]octane-3-carboxylic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523530-50-8.gif)
CAS RN: 1523530-50-8
exo-8-Azabicyclo[3.2.1]octane-3-carboxylic acid 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.20250621 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1523530-50-8
- Purity/Analytical Methods: >99.0%
1523530-50-8 / (1R,5S)-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride
Basic Information
CAS
1523530-50-8
Multi CAS
No
Molecular Formula
C8H14ClNO2
Molecular Weight
191.650000
Exact Mass
191.071306
SMILES
C1C[C@H]2CC(C[C@@H]1N2)C(=O)O.Cl
InChI
InChI=1S/C8H13NO2.ClH/c10-8(11)5-3-6-1-2-7(4-5)9-6;/h5-7,9H,1-4H2,(H,10,11);1H/t5?,6-,7+;
InChIKey
MFAUMPVIUINZHM-FXFNDYDPSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.55
TPSA
49.33
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
1.02
Consensus LogP
0.98
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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