![CAS 2102409-64-1 benzyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102409-64-1.png)
CAS RN: 2102409-64-1
benzyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
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.20260504 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-100022
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 |
2102409-64-1 / benzyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
Basic Information
CAS
2102409-64-1
Multi CAS
No
Molecular Formula
C16H22N2O3
Molecular Weight
290.360000
Exact Mass
290.163043
SMILES
C1CN(CCC12CNCCO2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H22N2O3/c19-15(20-12-14-4-2-1-3-5-14)18-9-6-16(7-10-18)13-17-8-11-21-16/h1-5,17H,6-13H2
InChIKey
MNAIZRFWAMYJPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.99
TPSA
50.8
LogP / Solubility
WLOGP
1.78
MLOGP
1.58
XLogP3
1.2
Consensus LogP
1.52
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-3.23
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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