![CAS 1269106-47-9 2-Amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269106-47-9.gif)
CAS RN: 1269106-47-9
2-Amino-1,3,8-triazaspiro[4.5]dec-1-en-4-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.20260122 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1269106-47-9
- Purity/Analytical Methods: >99.0%
1269106-47-9 / 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
Basic Information
CAS
1269106-47-9
Multi CAS
No
Molecular Formula
C7H14Cl2N4O
Molecular Weight
241.120000
Exact Mass
240.054467
SMILES
C1CNCCC12C(=O)NC(=N2)N.Cl.Cl
InChI
InChI=1S/C7H12N4O.2ClH/c8-6-10-5(12)7(11-6)1-3-9-4-2-7;;/h9H,1-4H2,(H3,8,10,11,12);2*1H
InChIKey
WYTIOEQRJCJGHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.71
H-bond acceptors
4
H-bond donors
3
Molar refractivity
59.1
TPSA
79.51
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.53
XLogP3
-0.6
Consensus LogP
-0.58
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.62
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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