![CAS 1251022-71-5 Tert-Butyl 2-Oxo-1,8-Diazaspiro[4.6]Undecane-8-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1251022-71-5.png)
CAS RN: 1251022-71-5
Tert-Butyl 2-Oxo-1,8-Diazaspiro[4.6]Undecane-8-Carboxylate
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.20250524 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINT915355
1251022-71-5 / tert-butyl 2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxylate
Basic Information
CAS
1251022-71-5
Multi CAS
No
Molecular Formula
C14H24N2O3
Molecular Weight
268.350000
Exact Mass
268.178693
SMILES
CC(C)(C)OC(=O)N1CCCC2(CCC(=O)N2)CC1
InChI
InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-4-6-14(8-10-16)7-5-11(17)15-14/h4-10H2,1-3H3,(H,15,17)
InChIKey
OEKUSYMBDPLWIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.77
TPSA
58.64
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
1.2
Consensus LogP
1.69
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
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)
-2.9
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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