CAS RN: 134384-31-9
2-(4-Trifluoromethyl-phenyl)-benzothiazole
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.20260515 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS134384-31-9
- Purity/Analytical Methods: >99.0%
134384-31-9 / 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
Basic Information
CAS
134384-31-9
Multi CAS
No
Molecular Formula
C14H8F3NS
Molecular Weight
279.280000
Exact Mass
279.032955
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C14H8F3NS/c15-14(16,17)10-7-5-9(6-8-10)13-18-11-3-1-2-4-12(11)19-13/h1-8H
InChIKey
DOKWHKZKJQGXGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
70.06
TPSA
12.89
LogP / Solubility
WLOGP
4.98
MLOGP
4.39
XLogP3
5.1
Consensus LogP
4.82
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Ethyl 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
- CAS RN: 134388-85-5
- Product Code: SSC-042055
-
3-Ethyl 2-Methyl 6-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate
- CAS RN: 134388-88-8
- Product Code: SSC-042056
-
-
Seocalcitol
- CAS RN: 134404-52-7
- Product Code: starshine_CAS134404-52-7
- Purity/Analytical method: >99.0%
-
-
![CAS 134409-06-6 7,7-diMethyl-1,4-dioxaspiro[4.5]decan-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/134409-06-6.gif)
