![CAS 32533-11-2 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/32533-11-2.gif)
CAS RN: 32533-11-2
8-Benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-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.20250102 | 500mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS32533-11-2
- Purity/Analytical Methods: >99.0%
32533-11-2 / 8-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
Basic Information
CAS
32533-11-2
Multi CAS
No
Molecular Formula
C14H18N2OS
Molecular Weight
262.370000
Exact Mass
262.113984
InChI
InChI=1S/C14H18N2OS/c17-13-11-18-14(15-13)6-8-16(9-7-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,17)
InChIKey
NSPQYHCLAIRMCN-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
1
Molar refractivity
74.28
TPSA
32.34
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
2
Consensus LogP
1.82
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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