![CAS 1801766-69-7 2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 4-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-, 1,1-dimethylethyl ester, (4S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1801766-69-7.gif)
CAS RN: 1801766-69-7
2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 4-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-, 1,1-dimethylethyl ester, (4S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250308 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1801766-69-7
- Purity/Analytical Methods: >99.0%
1801766-69-7 / tert-butyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
1801766-69-7
Multi CAS
No
Molecular Formula
C17H32N2O4S
Molecular Weight
360.500000
Exact Mass
360.208279
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H]2N[S@](=O)C(C)(C)C
InChI
InChI=1S/C17H32N2O4S/c1-15(2,3)23-14(20)19-9-7-17(8-10-19)12-22-11-13(17)18-24(21)16(4,5)6/h13,18H,7-12H2,1-6H3/t13-,24-/m1/s1
InChIKey
ZQXKHNNBAHWDEH-YEBMWUKDSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.94
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.11
TPSA
67.87
LogP / Solubility
WLOGP
2.45
MLOGP
2.18
XLogP3
1.9
Consensus LogP
2.18
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 1801766-78-8 (3S,4S)-tert-butyl4-((R)-1,1-dimethylethylsulfinamido)-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylate(WXC08153) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1801766-78-8.gif)
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