![CAS 1202072-52-3 1-Benzyl-1-azaspiro[4.5]decan-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1202072-52-3.gif)
CAS RN: 1202072-52-3
1-Benzyl-1-azaspiro[4.5]decan-8-one
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.20250614 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1202072-52-3
- Purity/Analytical Methods: >99.0%
1202072-52-3 / 1-benzyl-1-azaspiro[4.5]decan-8-one
1-benzyl-1-azaspiro[4.5]decan-8-one | MFCD23106208 | SCHEMBL1557924
Basic Information
CAS
1202072-52-3
Multi CAS
No
Molecular Formula
C16H21NO
Molecular Weight
243.340000
Exact Mass
243.162314
SMILES
C1CC2(CCC(=O)CC2)N(C1)CC3=CC=CC=C3
InChI
InChI=1S/C16H21NO/c18-15-7-10-16(11-8-15)9-4-12-17(16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKey
NJPLBRDLSYTQEV-UHFFFAOYSA-N
Synonyms
1-benzyl-1-azaspiro[4.5]decan-8-one
MFCD23106208
SCHEMBL1557924
AKOS025291215
PB36174
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.29
TPSA
20.31
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
2.3
Consensus LogP
2.75
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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