![CAS 958852-01-2 5-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/958852-01-2.gif)
CAS RN: 958852-01-2
5-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock3 grade groups
- Product code: SSC-211540
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
958852-01-2 / (5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
Basic Information
CAS
958852-01-2
Multi CAS
Yes
Molecular Formula
C18H11N3O2S
Molecular Weight
333.400000
Exact Mass
333.057198
InChI
InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-
InChIKey
QDITZBLZQQZVEE-YBEGLDIGSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
94.08
TPSA
71.95
LogP / Solubility
WLOGP
3.62
MLOGP
3.2
XLogP3
3
Consensus LogP
3.27
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18
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
Customers Also Viewed
-
![CAS 958863-66-6 ([2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]METHYL)(METHYL)AMINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
([2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]METHYL)(METHYL)AMINE
- CAS RN: 958863-66-6
- Product Code: SSC-211544
-
-
12-Hydroxy-8(17),13-labdadien-16,15-olide
- CAS RN: 958885-86-4
- Product Code: starshine_CAS958885-86-4
- Purity/Analytical method: >99.0%
-
-
-
![CAS 958863-66-6 ([2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]METHYL)(METHYL)AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/958863-66-6.gif)
