![CAS 1383453-92-6 4-Oxa-1,9-diazaspiro[5.5]undecan-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1383453-92-6.gif)
CAS RN: 1383453-92-6
4-Oxa-1,9-diazaspiro[5.5]undecan-2-one hydrochloride
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.20250825 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1383453-92-6
- Purity/Analytical Methods: >99.0%
1383453-92-6 / 4-oxa-1,9-diazaspiro[5.5]undecan-2-one;hydrochloride
Basic Information
CAS
1383453-92-6
Multi CAS
No
Molecular Formula
C8H15ClN2O2
Molecular Weight
206.670000
Exact Mass
206.082205
SMILES
C1CNCCC12COCC(=O)N2.Cl
InChI
InChI=1S/C8H14N2O2.ClH/c11-7-5-12-6-8(10-7)1-3-9-4-2-8;/h9H,1-6H2,(H,10,11);1H
InChIKey
BRJVFIBOSSYVBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.04
TPSA
50.36
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.28
XLogP3
-0.32
Consensus LogP
-0.31
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-4.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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