CAS RN: 677331-12-3
iCRT 14
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251221 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251202 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260208 | 250mg | Out of stock | Inquiry | |
| Batchno.20251126 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250901 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS677331-12-3
- Purity/Analytical Methods: >99.0%
677331-12-3 / 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Basic Information
CAS
677331-12-3
Multi CAS
Yes
Molecular Formula
C21H17N3O2S
Molecular Weight
375.400000
Exact Mass
375.104148
InChI
InChI=1S/C21H17N3O2S/c1-14-11-16(15(2)23(14)18-9-6-10-22-13-18)12-19-20(25)24(21(26)27-19)17-7-4-3-5-8-17/h3-13H,1-2H3/b19-12-
InChIKey
NCSHZXNGQYSKLR-UNOMPAQXSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
107.93
TPSA
55.2
LogP / Solubility
WLOGP
4.73
MLOGP
4.18
XLogP3
4.1
Consensus LogP
4.34
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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