![CAS 1392804-12-4 6-Thia-1-azaspiro[3.3]heptane 6,6-dioxide hemioxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1392804-12-4.gif)
CAS RN: 1392804-12-4
6-Thia-1-azaspiro[3.3]heptane 6,6-dioxide hemioxalate
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.20250619 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1392804-12-4
- Purity/Analytical Methods: >99.0%
1392804-12-4 / 6lambda6-thia-1-azaspiro[3.3]heptane 6,6-dioxide;oxalic acid
Basic Information
CAS
1392804-12-4
Multi CAS
No
Molecular Formula
C7H11NO6S
Molecular Weight
237.230000
Exact Mass
237.030708
SMILES
C1CNC12CS(=O)(=O)C2.C(=O)(C(=O)O)O
InChI
InChI=1S/C5H9NO2S.C2H2O4/c7-9(8)3-5(4-9)1-2-6-5;3-1(4)2(5)6/h6H,1-4H2;(H,3,4)(H,5,6)
InChIKey
AKFMMYCPJWBURC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
49.28
TPSA
120.77
LogP / Solubility
WLOGP
-1.7
MLOGP
-1.49
XLogP3
-1.7
Consensus LogP
-1.63
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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