![CAS 1774895-85-0 2-Cyclopropyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92698570.gif)
CAS RN: 1774895-85-0
2-Cyclopropyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1774895-85-0
- Purity/Analytical Methods: >99.0%
1774895-85-0 / 2-cyclopropyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;hydrochloride
Basic Information
CAS
1774895-85-0
Multi CAS
No
Molecular Formula
C10H16ClN3O
Molecular Weight
229.710000
Exact Mass
229.098190
SMILES
C1CC1C2=NC3(CCNCC3)C(=O)N2.Cl
InChI
InChI=1S/C10H15N3O.ClH/c14-9-10(3-5-11-6-4-10)13-8(12-9)7-1-2-7;/h7,11H,1-6H2,(H,12,13,14);1H
InChIKey
BNLBAULIBLAZLL-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
60.38
TPSA
53.49
LogP / Solubility
WLOGP
0.47
MLOGP
0.42
XLogP3
0.47
Consensus LogP
0.45
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.79
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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