![CAS 1788041-50-8 (1R,5S,6S)-rel-8-Azabicyclo[3.2.1]octan-6-ol hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788041-50-8.gif)
CAS RN: 1788041-50-8
(1R,5S,6S)-rel-8-Azabicyclo[3.2.1]octan-6-ol 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.20250617 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1788041-50-8
- Purity/Analytical Methods: >99.0%
1788041-50-8 / (1R,5S,6S)-8-azabicyclo[3.2.1]octan-6-ol;hydrochloride
Basic Information
CAS
1788041-50-8
Multi CAS
No
Molecular Formula
C7H14ClNO
Molecular Weight
163.640000
Exact Mass
163.076392
SMILES
C1C[C@@H]2C[C@@H]([C@H](C1)N2)O.Cl
InChI
InChI=1S/C7H13NO.ClH/c9-7-4-5-2-1-3-6(7)8-5;/h5-9H,1-4H2;1H/t5-,6+,7+;/m1./s1
InChIKey
JBKIAGJIMKQZEP-NLRFIBDTSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.43
TPSA
32.26
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
0.68
Consensus LogP
0.65
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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