![CAS 892299-50-2 8-Methyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892299-50-2.gif)
CAS RN: 892299-50-2
8-Methyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
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.20250830 | 500mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS892299-50-2
- Purity/Analytical Methods: >99.0%
892299-50-2 / 8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
Basic Information
CAS
892299-50-2
Multi CAS
No
Molecular Formula
C14H17N3S
Molecular Weight
259.370000
Exact Mass
259.114319
InChI
InChI=1S/C14H17N3S/c1-17-9-7-14(8-10-17)15-12(13(18)16-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,18)
InChIKey
YOTXRAMOGZFEOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.17
TPSA
27.63
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
1.8
Consensus LogP
1.75
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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