![CAS 212710-51-5 7-THIA-1,3-DIAZASPIRO[4.4]NONANE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB9209716.gif)
CAS RN: 212710-51-5
7-THIA-1,3-DIAZASPIRO[4.4]NONANE-2,4-DIONE
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.20260605 | 50mg / 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS212710-51-5
- Purity/Analytical Methods: >99.0%
212710-51-5 / 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
Basic Information
CAS
212710-51-5
Multi CAS
No
Molecular Formula
C6H8N2O2S
Molecular Weight
172.210000
Exact Mass
172.030649
SMILES
C1CSCC12C(=O)NC(=O)N2
InChI
InChI=1S/C6H8N2O2S/c9-4-6(1-2-11-3-6)8-5(10)7-4/h1-3H2,(H2,7,8,9,10)
InChIKey
MDNCSTBDLRSGIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.35
TPSA
58.2
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.4
Consensus LogP
-0.32
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very 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)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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