![CAS 1609406-92-9 2,5,7-Triazaspiro[3.4]octan-6-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1609406-92-9.gif)
CAS RN: 1609406-92-9
2,5,7-Triazaspiro[3.4]octan-6-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.20250508 | 50mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1609406-92-9
- Purity/Analytical Methods: >99.0%
1609406-92-9 / 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride
Basic Information
CAS
1609406-92-9
Multi CAS
No
Molecular Formula
C5H10ClN3O
Molecular Weight
163.600000
Exact Mass
163.051240
SMILES
C1C2(CN1)CNC(=O)N2.Cl
InChI
InChI=1S/C5H9N3O.ClH/c9-4-7-3-5(8-4)1-6-2-5;/h6H,1-3H2,(H2,7,8,9);1H
InChIKey
HVJUIAJESRNOJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
3
Molar refractivity
39.38
TPSA
53.16
LogP / Solubility
WLOGP
-0.94
MLOGP
-0.83
XLogP3
-0.94
Consensus LogP
-0.9
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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