![CAS 1250995-45-9 tert-butyl N-{2-azabicyclo[2.2.1]heptan-7-yl}carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250995-45-9.gif)
CAS RN: 1250995-45-9
tert-butyl N-{2-azabicyclo[2.2.1]heptan-7-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.20260108 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1250995-45-9
- Purity/Analytical Methods: >99.0%
1250995-45-9 / tert-butyl N-(2-azabicyclo[2.2.1]heptan-7-yl)carbamate
Basic Information
CAS
1250995-45-9
Multi CAS
No
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)NC1C2CCC1NC2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-7-4-5-8(9)12-6-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKey
LKMTYLUKCLIYBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.67
TPSA
50.36
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
1.2
Consensus LogP
1.19
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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