![CAS 1415560-32-5 8-benzyl-8-azabicyclo[3.2.1]octan-3-aMine (Hydrochloride) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82624059(1).gif)
CAS RN: 1415560-32-5
8-benzyl-8-azabicyclo[3.2.1]octan-3-aMine (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.20260627 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1415560-32-5
- Purity/Analytical Methods: >99.0%
1415560-32-5 / 8-benzyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
Basic Information
CAS
1415560-32-5
Multi CAS
No
Molecular Formula
C14H21ClN2
Molecular Weight
252.780000
Exact Mass
252.139326
SMILES
C1CC2CC(CC1N2CC3=CC=CC=C3)N.Cl
InChI
InChI=1S/C14H20N2.ClH/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11;/h1-5,12-14H,6-10,15H2;1H
InChIKey
QGKOKOMIZSMRQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.25
TPSA
29.26
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.44
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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