![CAS 1352926-03-4 tert-butyl 4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72602300(1).gif)
CAS RN: 1352926-03-4
tert-butyl 4-benzyl-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-043461
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1352926-03-4 / tert-butyl 4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
Basic Information
CAS
1352926-03-4
Multi CAS
No
Molecular Formula
C20H30N2O3
Molecular Weight
346.500000
Exact Mass
346.225643
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CN(CCO2)CC3=CC=CC=C3
InChI
InChI=1S/C20H30N2O3/c1-19(2,3)25-18(23)22-11-9-20(10-12-22)16-21(13-14-24-20)15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChIKey
HXZCJBKFNPEFAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
97.44
TPSA
42.01
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
2.6
Consensus LogP
2.93
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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