CAS RN: 854107-53-2
3-(2-Methylphenyl)-2-((Z)-propylimino)thiazolidin-4-one
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.20251206 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS854107-53-2
- Purity/Analytical Methods: >99.0%
854107-53-2 / 3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
Basic Information
CAS
854107-53-2
Multi CAS
No
Molecular Formula
C13H16N2OS
Molecular Weight
248.350000
Exact Mass
248.098334
InChI
InChI=1S/C13H16N2OS/c1-3-8-14-13-15(12(16)9-17-13)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3
InChIKey
OYBHACSOBWDLDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
73.72
TPSA
32.67
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
3.2
Consensus LogP
2.85
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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