![CAS 252720-36-8 1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 2-oxo-, phenylMethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/252720-36-8.gif)
CAS RN: 252720-36-8
1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 2-oxo-, phenylMethyl ester
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251005 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-121083
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 |
252720-36-8 / benzyl 2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxylate
Basic Information
CAS
252720-36-8
Multi CAS
No
Molecular Formula
C15H18N2O3
Molecular Weight
274.310000
Exact Mass
274.131742
SMILES
C1CN(CCC12CC(=O)N2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H18N2O3/c18-13-10-15(16-13)6-8-17(9-7-15)14(19)20-11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,18)
InChIKey
DDSVWHOHQXTBOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.92
TPSA
58.64
LogP / Solubility
WLOGP
1.68
MLOGP
1.49
XLogP3
1
Consensus LogP
1.39
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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