![CAS 1307299-54-2 (5Z)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1307299-54-2.gif)
CAS RN: 1307299-54-2
(5Z)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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.20260409 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1307299-54-2
- Purity/Analytical Methods: >99.0%
1307299-54-2 / (5Z)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Basic Information
CAS
1307299-54-2
Multi CAS
No
Molecular Formula
C11H9NO3S
Molecular Weight
235.260000
Exact Mass
235.030314
SMILES
COC1=CC=CC=C1/C=C\2/C(=O)NC(=O)S2
InChI
InChI=1S/C11H9NO3S/c1-15-8-5-3-2-4-7(8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6-
InChIKey
LJEQHDQLEYCLSC-TWGQIWQCSA-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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