![CAS 1391828-70-8 benzyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391828-70-8.gif)
CAS RN: 1391828-70-8
benzyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260203 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251210 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260408 | 1g | Out of stock | Inquiry | ||
| Batchno.20250504 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-049589
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 | Shenzhen | Inquiry |
1391828-70-8 / benzyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
Basic Information
CAS
1391828-70-8
Multi CAS
No
Molecular Formula
C14H15N3O4
Molecular Weight
289.290000
Exact Mass
289.106256
SMILES
C1CN(CC12C(=O)NC(=O)N2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C14H15N3O4/c18-11-14(16-12(19)15-11)6-7-17(9-14)13(20)21-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,15,16,18,19)
InChIKey
SOYOOVPEOFHGHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.22
TPSA
87.74
LogP / Solubility
WLOGP
0.61
MLOGP
0.54
XLogP3
0.3
Consensus LogP
0.48
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05
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
4
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