![CAS 170921-48-9 8-Benzyl-1,3,8-triaza-spiro[4.5]decan-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/170921-48-9.gif)
CAS RN: 170921-48-9
8-Benzyl-1,3,8-triaza-spiro[4.5]decan-4-one
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260413 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260615 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
| Batchno.20250905 | 1g | Out of stock | Inquiry | ||
| Batchno.20260530 | 250mg | Out of stock | Inquiry | ||
| Batchno.20251011 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS170921-48-9
- Purity/Analytical Methods: >99.0%
170921-48-9 / 8-benzyl-1,3,8-triazaspiro[4.5]decan-4-one
Basic Information
CAS
170921-48-9
Multi CAS
No
Molecular Formula
C14H19N3O
Molecular Weight
245.320000
Exact Mass
245.152812
SMILES
C1CN(CCC12C(=O)NCN2)CC3=CC=CC=C3
InChI
InChI=1S/C14H19N3O/c18-13-14(16-11-15-13)6-8-17(9-7-14)10-12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H,15,18)
InChIKey
BCWSNKPUZNJPGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.83
TPSA
44.37
LogP / Solubility
WLOGP
0.7
MLOGP
0.62
XLogP3
0.9
Consensus LogP
0.74
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
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)
-3.72
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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