![CAS 1031928-36-5 8-Benzyl-1,8-diazaspiro[4.5]decan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1031928-36-5.gif)
CAS RN: 1031928-36-5
8-Benzyl-1,8-diazaspiro[4.5]decan-2-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.20250813 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1031928-36-5
- Purity/Analytical Methods: >99.0%
1031928-36-5 / 8-benzyl-1,8-diazaspiro[4.5]decan-2-one
8-BENZYL-1,8-DIAZASPIRO[4.5]DECAN-2-ONE | MFCD10699290 | AKOS023567994
Basic Information
CAS
1031928-36-5
Multi CAS
No
Molecular Formula
C15H20N2O
Molecular Weight
244.330000
Exact Mass
244.157563
SMILES
C1CC2(CCN(CC2)CC3=CC=CC=C3)NC1=O
InChI
InChI=1S/C15H20N2O/c18-14-6-7-15(16-14)8-10-17(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
InChIKey
KXFPZTZZSWFKPI-UHFFFAOYSA-N
Synonyms
8-BENZYL-1,8-DIAZASPIRO[4.5]DECAN-2-ONE
MFCD10699290
AKOS023567994
MB08778
AS-50738
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.06
TPSA
32.34
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
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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