CAS RN: 436151-97-2
4-(3-TRIFLUOROMETHOXY-PHENYL)-THIAZOL-2-YLAMINE
- Product code: SSC-151771
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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
436151-97-2 / 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
Basic Information
CAS
436151-97-2
Multi CAS
No
Molecular Formula
C10F3H7N2OS
Molecular Weight
260.240000
Exact Mass
260.023119
InChI
InChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-2-6(4-7)8-5-17-9(14)15-8/h1-5H,(H2,14,15)
InChIKey
VYRFEJAFSZHYEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.65
TPSA
48.14
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-1.97
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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- Purity/Analytical method: >99.0%
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![CAS 436798-89-9 Spiro-BDAVBi,2,7-Bis[4-(diphenylaMino)styryl]-9,9-spirobifluoren molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/436798-89-9.gif)
