![CAS 960294-16-0 TERT-BUTYL 2,6-DIAZASPIRO[4.5]DECANE-6-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/960294-16-0.gif)
CAS RN: 960294-16-0
TERT-BUTYL 2,6-DIAZASPIRO[4.5]DECANE-6-CARBOXYLATE
- Product code: SSC-211845
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
960294-16-0 / tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate
Basic Information
CAS
960294-16-0
Multi CAS
Yes
Molecular Formula
C13H24N2O2
Molecular Weight
240.340000
Exact Mass
240.183778
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-5-4-6-13(15)7-8-14-10-13/h14H,4-10H2,1-3H3
InChIKey
HQYFHYDDVSZPPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.01
TPSA
41.57
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
1.5
Consensus LogP
1.84
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
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)
-2.67
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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