CAS RN: 51244-45-2
NSC 31150
Product Availability
Available package options are listed below.
3 package records2 with current stock
- Product code: starshine_CAS51244-45-2
- Purity/Analytical Methods: >99.0%
51244-45-2 / 5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Basic Information
CAS
51244-45-2
Multi CAS
Yes
Molecular Formula
C10H5CL2NO2S
Molecular Weight
274.120000
Exact Mass
272.941805
InChI
InChI=1S/C10H5Cl2NO2S/c11-6-2-1-5(7(12)4-6)3-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)
InChIKey
XUOVOGTZQNQWFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.57
TPSA
46.17
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
3.5
Consensus LogP
3.25
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-2.04
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
1.5
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