![CAS 1363381-29-6 6-AMino-2,2-dioxo-2-thia-spiro[3.3]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-29-6.gif)
CAS RN: 1363381-29-6
6-AMino-2,2-dioxo-2-thia-spiro[3.3]heptane
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-045319
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1363381-29-6 / 2,2-dioxo-2lambda6-thiaspiro[3.3]heptan-6-amine
Basic Information
CAS
1363381-29-6
Multi CAS
No
Molecular Formula
C6H11NO2S
Molecular Weight
161.220000
Exact Mass
161.051050
SMILES
C1C(CC12CS(=O)(=O)C2)N
InChI
InChI=1S/C6H11NO2S/c7-5-1-6(2-5)3-10(8,9)4-6/h5H,1-4,7H2
InChIKey
ISJRKZAXSIGKLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.3
TPSA
60.16
LogP / Solubility
WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.9
Consensus LogP
-0.6
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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