![CAS 1630906-36-3 2-Azabicyclo[2.2.2]octan-1-ylmethanol hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630906-36-3.gif)
CAS RN: 1630906-36-3
2-Azabicyclo[2.2.2]octan-1-ylmethanol 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.20250718 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1630906-36-3
- Purity/Analytical Methods: >99.0%
1630906-36-3 / 2-azabicyclo[2.2.2]octan-1-ylmethanol;hydrochloride
Basic Information
CAS
1630906-36-3
Multi CAS
No
Molecular Formula
C8H16ClNO
Molecular Weight
177.670000
Exact Mass
177.092042
SMILES
C1CC2(CCC1CN2)CO.Cl
InChI
InChI=1S/C8H15NO.ClH/c10-6-8-3-1-7(2-4-8)5-9-8;/h7,9-10H,1-6H2;1H
InChIKey
RUSHDNOKKGDAGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.03
TPSA
32.26
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.93
Consensus LogP
0.89
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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