![CAS 1357352-29-4 1-Hydroxy-8-Aza-Spiro[4.5]Decane-8-Carboxylic Acid Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357352-29-4.gif)
CAS RN: 1357352-29-4
1-Hydroxy-8-Aza-Spiro[4.5]Decane-8-Carboxylic Acid Tert-Butyl Ester
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.20250828 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1357352-29-4
- Purity/Analytical Methods: >99.0%
1357352-29-4 / tert-butyl 4-hydroxy-8-azaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
1357352-29-4
Multi CAS
No
Molecular Formula
C14H25NO3
Molecular Weight
255.350000
Exact Mass
255.183444
SMILES
CC(C)(C)OC(=O)N1CCC2(CCCC2O)CC1
InChI
InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-9-7-14(8-10-15)6-4-5-11(14)16/h11,16H,4-10H2,1-3H3
InChIKey
IATHSOHEOHVFKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.33
TPSA
49.77
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
1.9
Consensus LogP
2.23
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.47
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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