![CAS 1823264-51-2 2-tert-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52697227.gif)
CAS RN: 1823264-51-2
2-tert-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate
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.20260425 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-083517
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
1823264-51-2 / 2-O-tert-butyl 8-O-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate
Basic Information
CAS
1823264-51-2
Multi CAS
No
Molecular Formula
C13H21NO4S
Molecular Weight
287.380000
Exact Mass
287.119129
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCS2)C(=O)OC
InChI
InChI=1S/C13H21NO4S/c1-12(2,3)18-11(16)14-7-13(8-14)9(5-6-19-13)10(15)17-4/h9H,5-8H2,1-4H3
InChIKey
KYXIKMLKKOXNGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
73.12
TPSA
55.84
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
1.4
Consensus LogP
1.66
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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