![CAS 1624262-35-6 3-oxa-8-azabicyclo[3.2.1]octane oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1624262-35-6.gif)
CAS RN: 1624262-35-6
3-oxa-8-azabicyclo[3.2.1]octane oxalate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250222 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1624262-35-6
- Purity/Analytical Methods: >99.0%
1624262-35-6 / 3-oxa-8-azabicyclo[3.2.1]octane;oxalic acid
Basic Information
CAS
1624262-35-6
Multi CAS
No
Molecular Formula
C8H13NO5
Molecular Weight
203.190000
Exact Mass
203.079373
SMILES
C1CC2COCC1N2.C(=O)(C(=O)O)O
InChI
InChI=1S/C6H11NO.C2H2O4/c1-2-6-4-8-3-5(1)7-6;3-1(4)2(5)6/h5-7H,1-4H2;(H,3,4)(H,5,6)
InChIKey
KQDINXPFNRAZTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46.04
TPSA
95.86
LogP / Solubility
WLOGP
-0.71
MLOGP
-0.62
XLogP3
-0.71
Consensus LogP
-0.68
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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