![CAS 1713162-87-8 tert-Butyl 2-isopropyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12698569.gif)
CAS RN: 1713162-87-8
tert-Butyl 2-isopropyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-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.20251221 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1713162-87-8
- Purity/Analytical Methods: >99.0%
1713162-87-8 / tert-butyl 4-oxo-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Basic Information
CAS
1713162-87-8
Multi CAS
No
Molecular Formula
C15H25N3O3
Molecular Weight
295.380000
Exact Mass
295.189592
SMILES
CC(C)C1=NC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)N1
InChI
InChI=1S/C15H25N3O3/c1-10(2)11-16-12(19)15(17-11)6-8-18(9-7-15)13(20)21-14(3,4)5/h10H,6-9H2,1-5H3,(H,16,17,19)
InChIKey
RBEYALCSYPLHCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.19
TPSA
71
LogP / Solubility
WLOGP
1.94
MLOGP
1.72
XLogP3
1.5
Consensus LogP
1.72
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
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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