![CAS 2387123-36-4 tert-butyl 2,2-dioxo-2λ-thia-7-azaspiro[3.4]octane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2387123-36-4.gif)
CAS RN: 2387123-36-4
tert-butyl 2,2-dioxo-2λ-thia-7-azaspiro[3.4]octane-7-carboxylate
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.20250606 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2387123-36-4
- Purity/Analytical Methods: >99.0%
2387123-36-4 / tert-butyl 2,2-dioxo-2lambda6-thia-7-azaspiro[3.4]octane-7-carboxylate
Basic Information
CAS
2387123-36-4
Multi CAS
No
Molecular Formula
C11H19NO4S
Molecular Weight
261.340000
Exact Mass
261.103479
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CS(=O)(=O)C2
InChI
InChI=1S/C11H19NO4S/c1-10(2,3)16-9(13)12-5-4-11(6-12)7-17(14,15)8-11/h4-8H2,1-3H3
InChIKey
UTCRIKWHKBZRJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.51
TPSA
63.68
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
0.5
Consensus LogP
0.82
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
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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