![CAS 1193388-93-0 9-benzyl-9-azabicyclo[5.3.1]undecan-11-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1193388-93-0.gif)
CAS RN: 1193388-93-0
9-benzyl-9-azabicyclo[5.3.1]undecan-11-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.20250902 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1193388-93-0
- Purity/Analytical Methods: >99.0%
1193388-93-0 / 9-benzyl-9-azabicyclo[5.3.1]undecan-11-one
9-benzyl-9-azabicyclo[5.3.1]undecan-11-one | MFCD13618347 | TXB38893
Basic Information
CAS
1193388-93-0
Multi CAS
No
Molecular Formula
C17H23NO
Molecular Weight
257.370000
Exact Mass
257.177964
SMILES
C1CCC2CN(CC(C2=O)CC1)CC3=CC=CC=C3
InChI
InChI=1S/C17H23NO/c19-17-15-9-5-2-6-10-16(17)13-18(12-15)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2
InChIKey
CAKHVQISVLHFSJ-UHFFFAOYSA-N
Synonyms
9-benzyl-9-azabicyclo[5.3.1]undecan-11-one
MFCD13618347
TXB38893
AKOS030629883
CS-W000682
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
76.79
TPSA
20.31
LogP / Solubility
WLOGP
3.27
MLOGP
2.88
XLogP3
3.4
Consensus LogP
3.18
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-1.97
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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