![CAS 1373028-36-4 8-(Tert-Butoxycarbonyl)-1-Thia-8-Azaspiro[4.5]Decane-4-Carboxylic Acid 1,1-Dioxide(WX100995) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373028-36-4.gif)
CAS RN: 1373028-36-4
8-(Tert-Butoxycarbonyl)-1-Thia-8-Azaspiro[4.5]Decane-4-Carboxylic Acid 1,1-Dioxide(WX100995)
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.20260204 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1373028-36-4
- Purity/Analytical Methods: >99.0%
1373028-36-4 / 8-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1lambda6-thia-8-azaspiro[4.5]decane-4-carboxylic acid
Basic Information
CAS
1373028-36-4
Multi CAS
No
Molecular Formula
C14H23NO6S
Molecular Weight
333.400000
Exact Mass
333.124609
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(CCS2(=O)=O)C(=O)O
InChI
InChI=1S/C14H23NO6S/c1-13(2,3)21-12(18)15-7-5-14(6-8-15)10(11(16)17)4-9-22(14,19)20/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
MDKMSKUZSXKMOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.3
TPSA
100.98
LogP / Solubility
WLOGP
1.28
MLOGP
1.14
XLogP3
0.5
Consensus LogP
0.97
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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