![CAS 1707367-86-9 2-Isopropyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42698540.gif)
CAS RN: 1707367-86-9
2-Isopropyl-1,3,8-triazaspiro[4.5]dec-1-en-4-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.20250621 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1707367-86-9
- Purity/Analytical Methods: >99.0%
1707367-86-9 / 2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;hydrochloride
Basic Information
CAS
1707367-86-9
Multi CAS
No
Molecular Formula
C10H18ClN3O
Molecular Weight
231.720000
Exact Mass
231.113840
SMILES
CC(C)C1=NC2(CCNCC2)C(=O)N1.Cl
InChI
InChI=1S/C10H17N3O.ClH/c1-7(2)8-12-9(14)10(13-8)3-5-11-6-4-10;/h7,11H,3-6H2,1-2H3,(H,12,13,14);1H
InChIKey
NGVDNTLYXYWQKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.5
TPSA
53.49
LogP / Solubility
WLOGP
0.71
MLOGP
0.63
XLogP3
0.71
Consensus LogP
0.68
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-3.63
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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