![CAS 16803-07-9 1,4-DIOXA-8-AZA-SPIRO[4.6]UNDECANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16803-07-9.gif)
CAS RN: 16803-07-9
1,4-DIOXA-8-AZA-SPIRO[4.6]UNDECANE
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.20250721 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16803-07-9
- Purity/Analytical Methods: >99.0%
16803-07-9 / 1,4-dioxa-9-azaspiro[4.6]undecane
Basic Information
CAS
16803-07-9
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
C1CC2(CCNC1)OCCO2
InChI
InChI=1S/C8H15NO2/c1-2-8(3-5-9-4-1)10-6-7-11-8/h9H,1-7H2
InChIKey
FBZXTZIKSOUPGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.36
TPSA
30.49
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
0.1
Consensus LogP
0.35
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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