![CAS 128244-00-8 1,7-DIAZASPRIO[4.4]NONAN-6-ONE, 1-BENZOYL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/128244-00-8.gif)
CAS RN: 128244-00-8
1,7-DIAZASPRIO[4.4]NONAN-6-ONE, 1-BENZOYL
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.20250907 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS128244-00-8
- Purity/Analytical Methods: >99.0%
128244-00-8 / 1-benzoyl-1,7-diazaspiro[4.4]nonan-6-one
Basic Information
CAS
128244-00-8
Multi CAS
No
Molecular Formula
C14H16N2O2
Molecular Weight
244.290000
Exact Mass
244.121178
SMILES
C1CC2(CCNC2=O)N(C1)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H16N2O2/c17-12(11-5-2-1-3-6-11)16-10-4-7-14(16)8-9-15-13(14)18/h1-3,5-6H,4,7-10H2,(H,15,18)
InChIKey
OIQRTEVAOMPNDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.07
TPSA
49.41
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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