![CAS 2206610-58-2 Tert-Butyl2,9-Diazaspiro[5.5]Undecane-9-Carboxylate Oxalate* molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2206610-58-2.gif)
CAS RN: 2206610-58-2
Tert-Butyl2,9-Diazaspiro[5.5]Undecane-9-Carboxylate Oxalate*
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.20250303 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2206610-58-2
- Purity/Analytical Methods: >99.0%
2206610-58-2 / tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate;oxalic acid
Basic Information
CAS
2206610-58-2
Multi CAS
No
Molecular Formula
C16H28N2O6
Molecular Weight
344.400000
Exact Mass
344.194737
SMILES
CC(C)(C)OC(=O)N1CCC2(CCCNC2)CC1.C(=O)(C(=O)O)O
InChI
InChI=1S/C14H26N2O2.C2H2O4/c1-13(2,3)18-12(17)16-9-6-14(7-10-16)5-4-8-15-11-14;3-1(4)2(5)6/h15H,4-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
OGYABPHROHFZRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.81
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
86.85
TPSA
116.17
LogP / Solubility
WLOGP
1.54
MLOGP
1.37
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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