![CAS 375835-43-1 2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/375835-43-1.gif)
CAS RN: 375835-43-1
2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250308 | 100mg | In stock | Tianjin | Inquiry |
| Batchno.20250415 | 250mg | Out of stock | Inquiry | |
| Batchno.20250925 | 25mg | In stock | Tianjin | Inquiry |
| Batchno.20260404 | 25mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250222 | 50mg | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS375835-43-1
- Purity/Analytical Methods: >99.0%
375835-43-1 / 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Basic Information
CAS
375835-43-1
Multi CAS
No
Molecular Formula
C18H16N4O2S2
Molecular Weight
384.500000
Exact Mass
384.071468
InChI
InChI=1S/C18H16N4O2S2/c1-11-2-4-12(5-3-11)13-8-15(23)21-17(14(13)9-19)26-10-16(24)22-18-20-6-7-25-18/h2-7,13H,8,10H2,1H3,(H,21,23)(H,20,22,24)
InChIKey
LOQIRQHGJVGIEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
102.52
TPSA
94.88
LogP / Solubility
WLOGP
3.16
MLOGP
2.8
XLogP3
2.2
Consensus LogP
2.72
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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