![CAS 1359655-43-8 6-Oxa-1-azaspiro[3.3]heptane oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1359655-43-8.gif)
CAS RN: 1359655-43-8
6-Oxa-1-azaspiro[3.3]heptane oxalate
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.20251111 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1359655-43-8
- Purity/Analytical Methods: >99.0%
1359655-43-8 / 6-oxa-1-azaspiro[3.3]heptane;oxalic acid
Basic Information
CAS
1359655-43-8
Multi CAS
No
Molecular Formula
C7H11NO5
Molecular Weight
189.170000
Exact Mass
189.063722
SMILES
C1CNC12COC2.C(=O)(C(=O)O)O
InChI
InChI=1S/C5H9NO.C2H2O4/c1-2-6-5(1)3-7-4-5;3-1(4)2(5)6/h6H,1-4H2;(H,3,4)(H,5,6)
InChIKey
ZKXFHPOIDKRDSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
41.44
TPSA
95.86
LogP / Solubility
WLOGP
-1.1
MLOGP
-0.97
XLogP3
-1.1
Consensus LogP
-1.06
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.02
Class (SILICOS-IT)
Highly 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)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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