![CAS 1377187-33-1 TERT-BUTYL 1-OXA-8-AZASPIRO[4.5]DEC-3-YLCARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72722057(1).gif)
CAS RN: 1377187-33-1
TERT-BUTYL 1-OXA-8-AZASPIRO[4.5]DEC-3-YLCARBAMATE
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.20250603 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1377187-33-1
- Purity/Analytical Methods: >99.0%
1377187-33-1 / tert-butyl N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate
Basic Information
CAS
1377187-33-1
Multi CAS
No
Molecular Formula
C13H24N2O3
Molecular Weight
256.340000
Exact Mass
256.178693
SMILES
CC(C)(C)OC(=O)NC1CC2(CCNCC2)OC1
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-10-8-13(17-9-10)4-6-14-7-5-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKey
ACUKKOFVWISMOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.56
TPSA
59.59
LogP / Solubility
WLOGP
1.42
MLOGP
1.26
XLogP3
0.9
Consensus LogP
1.19
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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