![CAS 1259489-95-6 9-Oxa-2-azaspiro[5.5]undecan-9-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1259489-95-6.gif)
CAS RN: 1259489-95-6
9-Oxa-2-azaspiro[5.5]undecan-9-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.20260527 | 250mg / 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1259489-95-6
- Purity/Analytical Methods: >99.0%
1259489-95-6 / tert-butyl 9-oxa-2-azaspiro[5.5]undecane-2-carboxylate
Basic Information
CAS
1259489-95-6
Multi CAS
No
Molecular Formula
C14H25NO3
Molecular Weight
255.350000
Exact Mass
255.183444
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCOCC2
InChI
InChI=1S/C14H25NO3/c1-13(2,3)18-12(16)15-8-4-5-14(11-15)6-9-17-10-7-14/h4-11H2,1-3H3
InChIKey
QNFIHVHQIDWFOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.53
TPSA
38.77
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
2.1
Consensus LogP
2.46
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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