![CAS 853953-65-8 2,4-Thiazolidinedione, 5-[[5-[6-(4-acetyl-1-piperazinyl)-3-nitro-2-pyridinyl]-2-fluorophenyl]methylene]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/853953-65-8.gif)
CAS RN: 853953-65-8
2,4-Thiazolidinedione, 5-[[5-[6-(4-acetyl-1-piperazinyl)-3-nitro-2-pyridinyl]-2-fluorophenyl]methylene]-
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251226 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250704 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250222 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250702 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251021 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260114 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS853953-65-8
- Purity/Analytical Methods: >99.0%
853953-65-8 / (5Z)-5-[[5-[6-(4-acetylpiperazin-1-yl)-3-nitro-2-pyridinyl]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione
Basic Information
CAS
853953-65-8
Multi CAS
Yes
Molecular Formula
C21FH18N5O5S
Molecular Weight
471.500000
Exact Mass
471.101268
InChI
InChI=1S/C21H18FN5O5S/c1-12(28)25-6-8-26(9-7-25)18-5-4-16(27(31)32)19(23-18)13-2-3-15(22)14(10-13)11-17-20(29)24-21(30)33-17/h2-5,10-11H,6-9H2,1H3,(H,24,29,30)/b17-11-
InChIKey
WZGVKWZJGXGNDP-BOPFTXTBSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
119.86
TPSA
125.75
LogP / Solubility
WLOGP
2.79
MLOGP
2.49
XLogP3
2.4
Consensus LogP
2.56
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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)
-3.62
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
-
AMINO-MODIFIER-C 6-DC CEP
- CAS RN: 853955-92-7
- Product Code: starshine_CAS853955-92-7
- Purity/Analytical method: >99.0%
-
-
4,4,5,5-TETRAMETHYL-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-1,3,2-DIOXABOROLANE(WXG00895)
- CAS RN: 853998-14-8
- Product Code: SSC-193757
-
BMS 354825 hydrochloride
- CAS RN: 854001-07-3
- Product Code: starshine_CAS854001-07-3
- Purity/Analytical method: >99.0%
-
ethyl 5-bromo-4-methylisoxazole-3-carboxylate
- CAS RN: 854015-42-2
- Product Code: SSC-193759
-
5-Bromo-4-methyl-3-isoxazolemethanol
- CAS RN: 854015-45-5
- Product Code: starshine_CAS854015-45-5
- Purity/Analytical method: >99.0%
