![CAS 1123242-53-4 8-benzyl-2,8-diazaspiro[4.5]decan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1123242-53-4.gif)
CAS RN: 1123242-53-4
8-benzyl-2,8-diazaspiro[4.5]decan-1-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.20250206 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1123242-53-4
- Purity/Analytical Methods: >99.0%
1123242-53-4 / 8-benzyl-2,8-diazaspiro[4.5]decan-1-one
8-benzyl-2,8-diazaspiro[4.5]decan-1-one | DTXSID40676400 | 8-Benzyl-2,8-diazaspiro(4.5)decan-1-one
Basic Information
CAS
1123242-53-4
Multi CAS
No
Molecular Formula
C15H20N2O
Molecular Weight
244.330000
Exact Mass
244.157563
SMILES
C1CNC(=O)C12CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H20N2O/c18-14-15(6-9-16-14)7-10-17(11-8-15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
InChIKey
YDCQDXRNSYBVDA-UHFFFAOYSA-N
Synonyms
8-benzyl-2,8-diazaspiro[4.5]decan-1-one
DTXSID40676400
8-Benzyl-2,8-diazaspiro(4.5)decan-1-one
RefChem:311787
DTXCID90627149
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.01
TPSA
32.34
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.62
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1123661-15-3 8-(Phenylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1123661-15-3.gif)
