![CAS 1415562-38-7 tert-butyl (2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl)carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62624303(1).gif)
CAS RN: 1415562-38-7
tert-butyl (2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl)carbaMate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250403 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1415562-38-7
- Purity/Analytical Methods: >99.0%
1415562-38-7 / tert-butyl N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]carbamate
Basic Information
CAS
1415562-38-7
Multi CAS
No
Molecular Formula
C12H22N2O3
Molecular Weight
242.310000
Exact Mass
242.163043
SMILES
CC(C)(C)OC(=O)NCCN1CC2(C1)COC2
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)13-4-5-14-6-12(7-14)8-16-9-12/h4-9H2,1-3H3,(H,13,15)
InChIKey
ZRCFEOGZVNDJGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.93
TPSA
50.8
LogP / Solubility
WLOGP
0.84
MLOGP
0.75
XLogP3
0.5
Consensus LogP
0.7
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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