CAS RN: 1328998-37-3
5-((5-(Trifluoromethyl)pyridin-2-yl)oxy)thiazol-2-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1328998-37-3
- Purity/Analytical Methods: >99.0%
1328998-37-3 / 5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-thiazol-2-amine
Basic Information
CAS
1328998-37-3
Multi CAS
No
Molecular Formula
C9H6F3N3OS
Molecular Weight
261.230000
Exact Mass
261.018367
SMILES
C1=CC(=NC=C1C(F)(F)F)OC2=CN=C(S2)N
InChI
InChI=1S/C9H6F3N3OS/c10-9(11,12)5-1-2-6(14-3-5)16-7-4-15-8(13)17-7/h1-4H,(H2,13,15)
InChIKey
HOKDEOCQYCDJJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.84
TPSA
61.03
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.6
Consensus LogP
2.71
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1329054-41-2 11,12-Dihydro-12,12-dimethylindeno[2,1-a]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1329054-41-2.gif)
