![CAS 1707575-94-7 2-Cyclobutyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72698541.gif)
CAS RN: 1707575-94-7
2-Cyclobutyl-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.20250731 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1707575-94-7
- Purity/Analytical Methods: >99.0%
1707575-94-7 / 2-cyclobutyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;hydrochloride
Basic Information
CAS
1707575-94-7
Multi CAS
No
Molecular Formula
C11H18ClN3O
Molecular Weight
243.730000
Exact Mass
243.113840
SMILES
C1CC(C1)C2=NC3(CCNCC3)C(=O)N2.Cl
InChI
InChI=1S/C11H17N3O.ClH/c15-10-11(4-6-12-7-5-11)14-9(13-10)8-2-1-3-8;/h8,12H,1-7H2,(H,13,14,15);1H
InChIKey
RSXBGYLGFPYJRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65
TPSA
53.49
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
XLogP3
0.86
Consensus LogP
0.83
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-3.6
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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