CAS RN: 854107-48-5
4-Thiazolidinone, 3-phenyl-2-(propylimino)-, (2Z)-
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.20250826 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS854107-48-5
- Purity/Analytical Methods: >99.0%
854107-48-5 / 3-phenyl-2-propylimino-1,3-thiazolidin-4-one
Basic Information
CAS
854107-48-5
Multi CAS
No
Molecular Formula
C12H14N2OS
Molecular Weight
234.320000
Exact Mass
234.082684
InChI
InChI=1S/C12H14N2OS/c1-2-8-13-12-14(11(15)9-16-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
TXKYJCYKCWRQQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
68.98
TPSA
32.67
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.8
Consensus LogP
2.52
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.35
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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