![CAS 1340481-94-8 tert-Butyl 8-hydroxy-6-thia-2-azaspiro[3.4]octane-2-carboxylate 6,6-dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1340481-94-8.gif)
CAS RN: 1340481-94-8
tert-Butyl 8-hydroxy-6-thia-2-azaspiro[3.4]octane-2-carboxylate 6,6-dioxide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1340481-94-8
- Purity/Analytical Methods: >99.0%
1340481-94-8 / tert-butyl 8-hydroxy-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-2-carboxylate
Basic Information
CAS
1340481-94-8
Multi CAS
No
Molecular Formula
C11H19NO5S
Molecular Weight
277.340000
Exact Mass
277.098394
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CC2O
InChI
InChI=1S/C11H19NO5S/c1-10(2,3)17-9(14)12-5-11(6-12)7-18(15,16)4-8(11)13/h8,13H,4-7H2,1-3H3
InChIKey
MLPBVLQLVWQEJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.9
TPSA
83.91
LogP / Solubility
WLOGP
0.01
MLOGP
0.02
XLogP3
-0.5
Consensus LogP
-0.16
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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