![CAS 1352925-95-1 tert-butyl 4-benzyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32602302(1).gif)
CAS RN: 1352925-95-1
tert-butyl 4-benzyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: SSC-043459
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1352925-95-1 / tert-butyl 4-benzyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
Basic Information
CAS
1352925-95-1
Multi CAS
No
Molecular Formula
C20H28N2O4
Molecular Weight
360.400000
Exact Mass
360.204907
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CO2)CC3=CC=CC=C3
InChI
InChI=1S/C20H28N2O4/c1-19(2,3)26-18(24)21-11-9-20(10-12-21)15-22(17(23)14-25-20)13-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKey
RLHOTFVDXKZZKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
97.58
TPSA
59.08
LogP / Solubility
WLOGP
2.82
MLOGP
2.5
XLogP3
2.1
Consensus LogP
2.47
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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