![CAS 1363381-24-1 2-(Phenylsulfonyl)-6-oxo-2-azaspiro[3.3]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32618620(1).gif)
CAS RN: 1363381-24-1
2-(Phenylsulfonyl)-6-oxo-2-azaspiro[3.3]heptane
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-045316
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 |
1363381-24-1 / 2-(benzenesulfonyl)-2-azaspiro[3.3]heptan-6-one
Basic Information
CAS
1363381-24-1
Multi CAS
No
Molecular Formula
C12H13NO3S
Molecular Weight
251.300000
Exact Mass
251.061614
SMILES
C1C(=O)CC12CN(C2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C12H13NO3S/c14-10-6-12(7-10)8-13(9-12)17(15,16)11-4-2-1-3-5-11/h1-5H,6-9H2
InChIKey
XIJPPBUHBDRFTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.87
TPSA
54.45
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
0.4
Consensus LogP
0.79
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-3.51
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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