![CAS 1523571-01-8 5-Oxa-2-aza-spiro[3.5]nonane hemioxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523571-01-8.gif)
CAS RN: 1523571-01-8
5-Oxa-2-aza-spiro[3.5]nonane hemioxalate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250824 | 25g | Out of stock | Inquiry |
- Product code: starshine_CAS1523571-01-8
- Purity/Analytical Methods: >99.0%
1523571-01-8 / bis(5-oxa-2-azaspiro[3.5]nonane);oxalic acid
Basic Information
CAS
1523571-01-8
Multi CAS
No
Molecular Formula
C16H28N2O6
Molecular Weight
344.400000
Exact Mass
344.194737
SMILES
C1CCOC2(C1)CNC2.C1CCOC2(C1)CNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C7H13NO.C2H2O4/c2*1-2-4-9-7(3-1)5-8-6-7;3-1(4)2(5)6/h2*8H,1-6H2;(H,3,4)(H,5,6)
InChIKey
ZDVHRQSWICZLCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
86.08
TPSA
117.12
LogP / Solubility
WLOGP
0.21
MLOGP
0.21
XLogP3
0.21
Consensus LogP
0.21
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-4.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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