![CAS 1779133-34-4 2-Isopropyl-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02698542.gif)
CAS RN: 1779133-34-4
2-Isopropyl-3-methyl-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.20250927 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1779133-34-4
- Purity/Analytical Methods: >99.0%
1779133-34-4 / 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;hydrochloride
Basic Information
CAS
1779133-34-4
Multi CAS
No
Molecular Formula
C11H20ClN3O
Molecular Weight
245.750000
Exact Mass
245.129490
SMILES
CC(C)C1=NC2(CCNCC2)C(=O)N1C.Cl
InChI
InChI=1S/C11H19N3O.ClH/c1-8(2)9-13-11(10(15)14(9)3)4-6-12-7-5-11;/h8,12H,4-7H2,1-3H3;1H
InChIKey
RFIQSARICFKYDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.13
TPSA
44.7
LogP / Solubility
WLOGP
1.06
MLOGP
0.94
XLogP3
1.06
Consensus LogP
1.02
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.47
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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