![CAS 1638767-88-0 5-azaspiro[2.3]hexane hemioxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638767-88-0.gif)
CAS RN: 1638767-88-0
5-azaspiro[2.3]hexane hemioxalate
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.20250606 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1638767-88-0
- Purity/Analytical Methods: >99.0%
1638767-88-0 / bis(5-azaspiro[2.3]hexane);oxalic acid
Basic Information
CAS
1638767-88-0
Multi CAS
No
Molecular Formula
C12H20N2O4
Molecular Weight
256.300000
Exact Mass
256.142307
SMILES
C1CC12CNC2.C1CC12CNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C5H9N.C2H2O4/c2*1-2-5(1)3-6-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6)
InChIKey
XLVQQCLHAATQTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
64.35
TPSA
98.66
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.1
Consensus LogP
-0.1
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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