![CAS 2166851-15-4 tert-butyl 6-hydroxy-3,8-diazabicyclo[3.2.1]octane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2166851-15-4.png)
CAS RN: 2166851-15-4
tert-butyl 6-hydroxy-3,8-diazabicyclo[3.2.1]octane-8-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.20250804 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2166851-15-4
- Purity/Analytical Methods: >99.0%
2166851-15-4 / tert-butyl 6-hydroxy-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Basic Information
CAS
2166851-15-4
Multi CAS
No
Molecular Formula
C11H20N2O3
Molecular Weight
228.290000
Exact Mass
228.147393
SMILES
CC(C)(C)OC(=O)N1C2CC(C1CNC2)O
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-7-4-9(14)8(13)6-12-5-7/h7-9,12,14H,4-6H2,1-3H3
InChIKey
CYRPCDFWLJRNBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.14
TPSA
61.8
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
0.1
Consensus LogP
0.24
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-3.88
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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