![CAS 936110-21-3 8-benzyl-8-azabicyclo[4.3.1]decan-10-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936110-21-3.gif)
CAS RN: 936110-21-3
8-benzyl-8-azabicyclo[4.3.1]decan-10-one
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.20260114 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS936110-21-3
- Purity/Analytical Methods: >99.0%
936110-21-3 / 8-benzyl-8-azabicyclo[4.3.1]decan-10-one
Basic Information
CAS
936110-21-3
Multi CAS
No
Molecular Formula
C16H21NO
Molecular Weight
243.340000
Exact Mass
243.162314
InChI
InChI=1S/C16H21NO/c18-16-14-8-4-5-9-15(16)12-17(11-14)10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey
YRWJDTZCVQMORQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.17
TPSA
20.31
LogP / Solubility
WLOGP
2.88
MLOGP
2.54
XLogP3
2.9
Consensus LogP
2.77
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
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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