![CAS 1638221-35-8 1,4,9-Triazaspiro[5.5]undecan-5-one dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB43328628.gif)
CAS RN: 1638221-35-8
1,4,9-Triazaspiro[5.5]undecan-5-one dihydrochloride
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.20260309 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1638221-35-8
- Purity/Analytical Methods: >99.0%
1638221-35-8 / 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
Basic Information
CAS
1638221-35-8
Multi CAS
No
Molecular Formula
C8H17Cl2N3O
Molecular Weight
242.140000
Exact Mass
241.074868
SMILES
C1CNCCC12C(=O)NCCN2.Cl.Cl
InChI
InChI=1S/C8H15N3O.2ClH/c12-7-8(11-6-5-10-7)1-3-9-4-2-8;;/h9,11H,1-6H2,(H,10,12);2*1H
InChIKey
OXFSLLMEPPTYDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
3
Molar refractivity
60.34
TPSA
53.16
LogP / Solubility
WLOGP
-0.33
MLOGP
-0.28
XLogP3
-0.33
Consensus LogP
-0.31
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.96
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)
-4.43
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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