CAS RN: 587852-28-6
SMI-16a
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260607 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260510 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251116 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260516 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250204 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250327 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS587852-28-6
- Purity/Analytical Methods: >99.0%
587852-28-6 / 5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Basic Information
CAS
587852-28-6
Multi CAS
Yes
Molecular Formula
C13H13NO3S
Molecular Weight
263.310000
Exact Mass
263.061614
InChI
InChI=1S/C13H13NO3S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(15)14-13(16)18-11/h3-6,8H,2,7H2,1H3,(H,14,15,16)
InChIKey
GBWOSXZUTXXXQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.33
TPSA
55.4
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
3.1
Consensus LogP
2.79
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-2.34
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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