CAS RN: 6320-51-0
2,4-Thiazolidinedione, 5-p-methoxybenzylidene-
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS6320-51-0
- Purity/Analytical Methods: >99.0%
6320-51-0 / 5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Basic Information
CAS
6320-51-0
Multi CAS
Yes
Molecular Formula
C11H9NO3S
Molecular Weight
235.260000
Exact Mass
235.030314
InChI
InChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)
InChIKey
VRUKGUBMRBLJJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.1
TPSA
55.4
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
2.2
Consensus LogP
2
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.72
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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4-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-BENZOIC ACID
- CAS RN: 6322-60-7
- Product Code: starshine_CAS6322-60-7
- Purity/Analytical method: >99.0%
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