CAS RN: 1426802-50-7
ROR gamma-t-IN-1
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250703 | 100mg | Out of stock | Inquiry | |
| Batchno.20250721 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260315 | 250mg | Out of stock | Inquiry | |
| Batchno.20250421 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260104 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260405 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1426802-50-7
- Purity/Analytical Methods: >99.0%
1426802-50-7 / N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
Basic Information
CAS
1426802-50-7
Multi CAS
No
Molecular Formula
C23H18Cl2F3NO4S
Molecular Weight
532.400000
Exact Mass
531.028569
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C(=C2)Cl)C3=CC=CC=C3OC(F)(F)F)Cl
InChI
InChI=1S/C23H18Cl2F3NO4S/c1-2-34(31,32)16-9-7-14(8-10-16)11-21(30)29-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)33-23(26,27)28/h3-10,12-13H,2,11H2,1H3,(H,29,30)
InChIKey
CEICQMBWAQAIQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
125.08
TPSA
72.47
LogP / Solubility
WLOGP
6.53
MLOGP
5.79
XLogP3
6.4
Consensus LogP
6.24
Log S (ESOL)
-7.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5
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