![CAS 154905-36-9 (1R,2S,4S)-rel-7-Boc-7-azabicyclo[2.2.1]heptan-2-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/154905-36-9.gif)
CAS RN: 154905-36-9
(1R,2S,4S)-rel-7-Boc-7-azabicyclo[2.2.1]heptan-2-ol
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.20251011 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS154905-36-9
- Purity/Analytical Methods: >99.0%
154905-36-9 / tert-butyl (1R,2S,4S)-2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
Basic Information
CAS
154905-36-9
Multi CAS
No
Molecular Formula
C11H19NO3
Molecular Weight
213.270000
Exact Mass
213.136493
SMILES
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H](C2)O
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-4-5-8(12)9(13)6-7/h7-9,13H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChIKey
WKKIHGBRNBOCMB-YIZRAAEISA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.51
TPSA
49.77
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.2
Consensus LogP
1.35
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.94
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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