![CAS 1341039-49-3 Meso-Tert-Butyl ((5R,8R)-2-Oxo-1-Azaspiro[4.5]Decan-8-Yl)Carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1341039-49-3.gif)
CAS RN: 1341039-49-3
Meso-Tert-Butyl ((5R,8R)-2-Oxo-1-Azaspiro[4.5]Decan-8-Yl)Carbamate
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.20251001 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1341039-49-3
- Purity/Analytical Methods: >99.0%
1341039-49-3 / tert-butyl N-(2-oxo-1-azaspiro[4.5]decan-8-yl)carbamate
Basic Information
CAS
1341039-49-3
Multi CAS
No
Molecular Formula
C14H24N2O3
Molecular Weight
268.350000
Exact Mass
268.178693
SMILES
CC(C)(C)OC(=O)NC1CCC2(CC1)CCC(=O)N2
InChI
InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)15-10-4-7-14(8-5-10)9-6-11(17)16-14/h10H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
RQHWYRVVIXVMGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.73
TPSA
67.43
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
1.5
Consensus LogP
1.82
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-2.86
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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