![CAS 918653-13-1 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-methyl-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/918653-13-1.gif)
CAS RN: 918653-13-1
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-methyl-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260425 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS918653-13-1
- Purity/Analytical Methods: >99.0%
918653-13-1 / tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
Basic Information
CAS
918653-13-1
Multi CAS
No
Molecular Formula
C15H28N2O2
Molecular Weight
268.390000
Exact Mass
268.215078
InChI
InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-11-7-15(8-12-17)5-9-16(4)10-6-15/h5-12H2,1-4H3
InChIKey
KHIRTTMCPZWQBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
76.21
TPSA
32.78
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2.2
Consensus LogP
2.45
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.42
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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