![CAS 757899-36-8 1-Azabicyclo[2.2.2]octane-2-carboxylicacid,(R)-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/757899-36-8.gif)
CAS RN: 757899-36-8
1-Azabicyclo[2.2.2]octane-2-carboxylicacid,(R)-(9CI)
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.20250517 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS757899-36-8
- Purity/Analytical Methods: >99.0%
757899-36-8 / 1-azabicyclo[2.2.2]octane-2-carboxylic acid
Basic Information
CAS
757899-36-8
Multi CAS
Yes
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c10-8(11)7-5-6-1-3-9(7)4-2-6/h6-7H,1-5H2,(H,10,11)
InChIKey
LIUAALCHBQSCCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.34
TPSA
40.54
LogP / Solubility
WLOGP
0.56
MLOGP
0.48
XLogP3
-1.5
Consensus LogP
-0.15
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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