![CAS 1223573-53-2 tert-Butyl 1-thia-6-azaspiro[3.3]heptane-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1223573-53-2.gif)
CAS RN: 1223573-53-2
tert-Butyl 1-thia-6-azaspiro[3.3]heptane-6-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.20250412 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1223573-53-2
- Purity/Analytical Methods: >99.0%
1223573-53-2 / tert-butyl 1-thia-6-azaspiro[3.3]heptane-6-carboxylate
Basic Information
CAS
1223573-53-2
Multi CAS
No
Molecular Formula
C10H17NO2S
Molecular Weight
215.310000
Exact Mass
215.098000
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCS2
InChI
InChI=1S/C10H17NO2S/c1-9(2,3)13-8(12)11-6-10(7-11)4-5-14-10/h4-7H2,1-3H3
InChIKey
RMCMFZVMTSLHBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.61
TPSA
29.54
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
1.6
Consensus LogP
1.86
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53
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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