![CAS 675589-81-8 4-benzyl-1,4-diazabicyclo[3.2.1]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/675589-81-8.gif)
CAS RN: 675589-81-8
4-benzyl-1,4-diazabicyclo[3.2.1]octane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260611 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS675589-81-8
- Purity/Analytical Methods: >99.0%
675589-81-8 / 4-benzyl-1,4-diazabicyclo[3.2.1]octane
Basic Information
CAS
675589-81-8
Multi CAS
Yes
Molecular Formula
C13H18N2
Molecular Weight
202.300000
Exact Mass
202.146999
InChI
InChI=1S/C13H18N2/c1-2-4-12(5-3-1)10-15-9-8-14-7-6-13(15)11-14/h1-5,13H,6-11H2
InChIKey
DWUSMWCBAIXPQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.7
TPSA
6.48
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.8
Consensus LogP
1.59
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 675599-62-9 N-{4-[4-(2,3-Dichlorophenyl)-piperazin-1-yl]-trans-but-2-enyl}-4-(pyridin-2-yl)benzamide dihydrochloride hydrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/675599-62-9.gif)