![CAS 1308384-37-3 tert-Butyl 1-methyl-1,4,9-triazaspiro[5.5]undecane-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1308384-37-3.gif)
CAS RN: 1308384-37-3
tert-Butyl 1-methyl-1,4,9-triazaspiro[5.5]undecane-9-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.20260406 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1308384-37-3
- Purity/Analytical Methods: >99.0%
1308384-37-3 / tert-butyl 1-methyl-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
Basic Information
CAS
1308384-37-3
Multi CAS
No
Molecular Formula
C14H27N3O2
Molecular Weight
269.380000
Exact Mass
269.210327
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNCCN2C
InChI
InChI=1S/C14H27N3O2/c1-13(2,3)19-12(18)17-8-5-14(6-9-17)11-15-7-10-16(14)4/h15H,5-11H2,1-4H3
InChIKey
DMXYUAATJHYZKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.27
TPSA
44.81
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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