![CAS 710268-50-1 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72556096.gif)
CAS RN: 710268-50-1
8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane
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.20260611 | 500mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS710268-50-1
- Purity/Analytical Methods: >99.0%
710268-50-1 / 8-benzyl-1-thia-4,8-diazaspiro[4.5]decane
Basic Information
CAS
710268-50-1
Multi CAS
No
Molecular Formula
C14H20N2S
Molecular Weight
248.390000
Exact Mass
248.134720
InChI
InChI=1S/C14H20N2S/c1-2-4-13(5-3-1)12-16-9-6-14(7-10-16)15-8-11-17-14/h1-5,15H,6-12H2
InChIKey
YZPZCDOJDXFOCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.14
TPSA
15.27
LogP / Solubility
WLOGP
2.32
MLOGP
2.04
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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