![CAS 16252-93-0 3-AMINO-8-METHYL-1,3-DIAZASPIRO[4.5]DECANE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16252-93-0.gif)
CAS RN: 16252-93-0
3-AMINO-8-METHYL-1,3-DIAZASPIRO[4.5]DECANE-2,4-DIONE
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260422 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS16252-93-0
- Purity/Analytical Methods: >99.0%
16252-93-0 / 3-amino-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
Basic Information
CAS
16252-93-0
Multi CAS
No
Molecular Formula
C9H15N3O2
Molecular Weight
197.230000
Exact Mass
197.116427
SMILES
CC1CCC2(CC1)C(=O)N(C(=O)N2)N
InChI
InChI=1S/C9H15N3O2/c1-6-2-4-9(5-3-6)7(13)12(10)8(14)11-9/h6H,2-5,10H2,1H3,(H,11,14)
InChIKey
KETSTGCVAFKZBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.93
TPSA
75.43
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
0.2
Consensus LogP
0.29
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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