![CAS 155600-89-8 tert-butyl 2-benzyl-1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/155600-89-8.gif)
CAS RN: 155600-89-8
tert-butyl 2-benzyl-1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
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.20250721 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS155600-89-8
- Purity/Analytical Methods: >99.0%
155600-89-8 / tert-butyl 2-benzyl-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
Basic Information
CAS
155600-89-8
Multi CAS
No
Molecular Formula
C19H26N2O3
Molecular Weight
330.400000
Exact Mass
330.194343
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CN(C2=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H26N2O3/c1-18(2,3)24-17(23)20-11-9-19(10-12-20)14-21(16(19)22)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKey
GGDGRVBFSAZNLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
91.33
TPSA
49.85
LogP / Solubility
WLOGP
3.05
MLOGP
2.7
XLogP3
2.2
Consensus LogP
2.65
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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