![CAS 93428-55-8 8-benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/93428-55-8.gif)
CAS RN: 93428-55-8
8-benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
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.20251020 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS93428-55-8
- Purity/Analytical Methods: >99.0%
93428-55-8 / 8-benzyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
Basic Information
CAS
93428-55-8
Multi CAS
Yes
Molecular Formula
C13H20CL2N2
Molecular Weight
275.210000
Exact Mass
274.100354
InChI
InChI=1S/C13H18N2.2ClH/c1-2-4-11(5-3-1)10-15-12-6-7-13(15)9-14-8-12;;/h1-5,12-14H,6-10H2;2*1H
InChIKey
OIWIGPGLVURHQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.16
TPSA
15.27
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.47
Consensus LogP
2.37
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.65
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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