![CAS 1823266-62-1 Tert-Butyl 1-Amino-3-Oxa-9-Azaspiro[5.5]Undecane-9-Carboxylate(WX101436) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823266-62-1.gif)
CAS RN: 1823266-62-1
Tert-Butyl 1-Amino-3-Oxa-9-Azaspiro[5.5]Undecane-9-Carboxylate(WX101436)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250714 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823266-62-1
- Purity/Analytical Methods: >99.0%
1823266-62-1 / tert-butyl 5-amino-3-oxa-9-azaspiro[5.5]undecane-9-carboxylate
Basic Information
CAS
1823266-62-1
Multi CAS
No
Molecular Formula
C14H26N2O3
Molecular Weight
270.370000
Exact Mass
270.194343
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CCOCC2N
InChI
InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-7-4-14(5-8-16)6-9-18-10-11(14)15/h11H,4-10,15H2,1-3H3
InChIKey
XCRIGCDOLJKCQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.89
TPSA
64.79
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
0.8
Consensus LogP
1.37
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-3.13
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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