![CAS 2344680-14-2 5-benzyl-5-azaspiro[3.5]nonan-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2344680-14-2.gif)
CAS RN: 2344680-14-2
5-benzyl-5-azaspiro[3.5]nonan-8-one
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS2344680-14-2
- Purity/Analytical Methods: >99.0%
2344680-14-2 / 5-benzyl-5-azaspiro[3.5]nonan-8-one
Basic Information
CAS
2344680-14-2
Multi CAS
No
Molecular Formula
C15H19NO
Molecular Weight
229.320000
Exact Mass
229.146664
SMILES
C1CC2(C1)CC(=O)CCN2CC3=CC=CC=C3
InChI
InChI=1S/C15H19NO/c17-14-7-10-16(15(11-14)8-4-9-15)12-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKey
YBAHKSWRMSWVCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
67.68
TPSA
20.31
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
1.9
Consensus LogP
2.37
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 2344685-49-8 7-Azaspiro[3.5]nonan-6-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
(S)-4,4-difluoropyrrolidin-3-ol hydrochloride
- CAS RN: 2344751-63-7
- Product Code: SSC-113279
-
(1-Benzylindol-5-yl)boronic acid
- CAS RN: 2346512-57-8
- Product Code: starshine_CAS2346512-57-8
- Purity/Analytical method: >99.0%
-
-
((3aR,4R,6R,6aR)-6-((E)-4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate
- CAS RN: 2346620-55-9
- Product Code: SSC-113316
-
![CAS 2344685-49-8 7-Azaspiro[3.5]nonan-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2344685-49-8.gif)
![CAS 2346620-55-9 ((3aR,4R,6R,6aR)-6-((E)-4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2346620-55-9.gif)
![CAS 2347374-92-7 7H-Pyrrolo[2,3-d]pyrimidine, 2,5-dichloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2347374-92-7.gif)