![CAS 1341039-97-1 Tert-Butyl 1,9-Dioxa-5,12-Diazaspiro[6.6]Tridecane-12-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1341039-97-1.gif)
CAS RN: 1341039-97-1
Tert-Butyl 1,9-Dioxa-5,12-Diazaspiro[6.6]Tridecane-12-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.20260623 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1341039-97-1
- Purity/Analytical Methods: >99.0%
1341039-97-1 / tert-butyl 1,9-dioxa-5,12-diazaspiro[6.6]tridecane-12-carboxylate
Basic Information
CAS
1341039-97-1
Multi CAS
No
Molecular Formula
C14H26N2O4
Molecular Weight
286.370000
Exact Mass
286.189257
SMILES
CC(C)(C)OC(=O)N1CCOCC2(C1)CNCCCO2
InChI
InChI=1S/C14H26N2O4/c1-13(2,3)20-12(17)16-6-8-18-11-14(10-16)9-15-5-4-7-19-14/h15H,4-11H2,1-3H3
InChIKey
GUBGKLFKFPLBLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.8
TPSA
60.03
LogP / Solubility
WLOGP
1
MLOGP
0.89
XLogP3
0.2
Consensus LogP
0.7
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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