![CAS 1160246-71-8 TERT-BUTYL 1-OXO-2,6-DIAZASPIRO[3.5]NONANE-6-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160246-71-8.gif)
CAS RN: 1160246-71-8
TERT-BUTYL 1-OXO-2,6-DIAZASPIRO[3.5]NONANE-6-CARBOXYLATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251210 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS1160246-71-8
- Purity/Analytical Methods: >99.0%
1160246-71-8 / tert-butyl 3-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate
6-Boc-1-oxo-2,6-diazaspiro[3.5]nonane | TERT-BUTYL 1-OXO-2,6-DIAZASPIRO[3.5]NONANE-6-CARBOXYLATE | tert-butyl 3-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate
Basic Information
CAS
1160246-71-8
Multi CAS
No
Molecular Formula
C12H20N2O3
Molecular Weight
240.300000
Exact Mass
240.147393
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CNC2=O
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-6-4-5-12(8-14)7-13-9(12)15/h4-8H2,1-3H3,(H,13,15)
InChIKey
LNWMIRKPCFFSTI-UHFFFAOYSA-N
Synonyms
6-Boc-1-oxo-2,6-diazaspiro[3.5]nonane
TERT-BUTYL 1-OXO-2,6-DIAZASPIRO[3.5]NONANE-6-CARBOXYLATE
tert-butyl 3-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate
MFCD12198505
2,6-DIAZASPIRO[3.5]NONANE-6-CARBOXYLIC ACID, 1-OXO-, 1,1-DIMETHYLETHYL ESTER
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.48
TPSA
58.64
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
0.5
Consensus LogP
0.88
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.38
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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