![CAS 1392803-05-2 6-AMino-1,4,8-trioxaspiro[4.5]decane oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52615254(1).gif)
CAS RN: 1392803-05-2
6-AMino-1,4,8-trioxaspiro[4.5]decane oxalate
- Product code: SSC-049712
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1392803-05-2 / oxalic acid;1,4,8-trioxaspiro[4.5]decan-6-amine
Basic Information
CAS
1392803-05-2
Multi CAS
No
Molecular Formula
C9H15NO7
Molecular Weight
249.220000
Exact Mass
249.084852
SMILES
C1COCC(C12OCCO2)N.C(=O)(C(=O)O)O
InChI
InChI=1S/C7H13NO3.C2H2O4/c8-6-5-9-2-1-7(6)10-3-4-11-7;3-1(4)2(5)6/h6H,1-5,8H2;(H,3,4)(H,5,6)
InChIKey
YVAAUEAJWRKVMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
53.32
TPSA
128.31
LogP / Solubility
WLOGP
-1.37
MLOGP
-1.2
XLogP3
-1.37
Consensus LogP
-1.31
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
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)
-5.21
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
3
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