![CAS 71879-41-9 1,5-Dioxa-9-azaspiro[5.5]undecane, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/71879-41-9.png)
CAS RN: 71879-41-9
1,5-Dioxa-9-azaspiro[5.5]undecane, hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250801 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LIND902195
71879-41-9 / 1,5-dioxa-9-azaspiro[5.5]undecane;hydrochloride
Basic Information
CAS
71879-41-9
Multi CAS
Yes
Molecular Formula
C8H16CLNO2
Molecular Weight
193.670000
Exact Mass
193.086956
InChI
InChI=1S/C8H15NO2.ClH/c1-6-10-8(11-7-1)2-4-9-5-3-8;/h9H,1-7H2;1H
InChIKey
CLIKIDHLZKHSAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.6
TPSA
30.49
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
0.92
Consensus LogP
0.88
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.24
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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