CAS RN: 90947-00-5
5-(4-iodobenzylidene)rhodanine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260203 | 5mg / 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS90947-00-5
- Purity/Analytical Methods: >99.0%
90947-00-5 / 5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Basic Information
CAS
90947-00-5
Multi CAS
Yes
Molecular Formula
C10H6InOS2
Molecular Weight
347.200000
Exact Mass
346.893550
InChI
InChI=1S/C10H6INOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
InChIKey
LIRUBCDZKKWCPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.47
TPSA
29.1
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
3.4
Consensus LogP
2.88
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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