![CAS 317319-21-4 ETHYL 2-[3-FLUORO-(TRIFLUOROMETHYL)PHENYL]-4-METHYL-THIAZOLE-5-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6308434(1).gif)
CAS RN: 317319-21-4
ETHYL 2-[3-FLUORO-(TRIFLUOROMETHYL)PHENYL]-4-METHYL-THIAZOLE-5-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260517 | 50mg / 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS317319-21-4
- Purity/Analytical Methods: >99.0%
317319-21-4 / ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
Basic Information
CAS
317319-21-4
Multi CAS
Yes
Molecular Formula
C14F4H11NO2S
Molecular Weight
333.300000
Exact Mass
333.044662
InChI
InChI=1S/C14H11F4NO2S/c1-3-21-13(20)11-7(2)19-12(22-11)8-4-5-9(10(15)6-8)14(16,17)18/h4-6H,3H2,1-2H3
InChIKey
LCWBJARQUMMJMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
73.2
TPSA
39.19
LogP / Solubility
WLOGP
4.45
MLOGP
3.93
XLogP3
4.6
Consensus LogP
4.33
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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