![CAS 1232542-21-0 8-Oxo-5-aza-spiro[2.5]octane-5-carboxylic acid benzyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1232542-21-0.gif)
CAS RN: 1232542-21-0
8-Oxo-5-aza-spiro[2.5]octane-5-carboxylic acid benzyl ester
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.20260127 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-026902
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1232542-21-0 / benzyl 8-oxo-5-azaspiro[2.5]octane-5-carboxylate
Basic Information
CAS
1232542-21-0
Multi CAS
No
Molecular Formula
C15H17NO3
Molecular Weight
259.300000
Exact Mass
259.120843
SMILES
C1CN(CC2(C1=O)CC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H17NO3/c17-13-6-9-16(11-15(13)7-8-15)14(18)19-10-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKey
GDOXXSFSNQTKMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.49
TPSA
46.61
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
1.4
Consensus LogP
1.96
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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