![CAS 313981-55-4 2,4,6-TRIMETHYL-N-[2-(TRIFLUOROMETHYL)PHENYL]BENZENESULFONAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313981-55-4.gif)
CAS RN: 313981-55-4
2,4,6-TRIMETHYL-N-[2-(TRIFLUOROMETHYL)PHENYL]BENZENESULFONAMIDE
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251019 | 100mg | In stock | Inquiry | |
| Batchno.20250922 | 10mg | In stock | Inquiry | |
| Batchno.20250913 | 1g | In stock | Inquiry | |
| Batchno.20260102 | 250mg | In stock | Inquiry | |
| Batchno.20250831 | 25mg | In stock | Inquiry | |
| Batchno.20251202 | 50mg | In stock | Inquiry | |
| Batchno.20260224 | 5mg | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260426 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS313981-55-4
- Purity/Analytical Methods: >99.0%
313981-55-4 / 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
Basic Information
CAS
313981-55-4
Multi CAS
No
Molecular Formula
C16F3H16NO2S
Molecular Weight
343.400000
Exact Mass
343.085384
InChI
InChI=1S/C16H16F3NO2S/c1-10-8-11(2)15(12(3)9-10)23(21,22)20-14-7-5-4-6-13(14)16(17,18)19/h4-9,20H,1-3H3
InChIKey
SKJJIFRWCCSXGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
82.91
TPSA
46.17
LogP / Solubility
WLOGP
4.43
MLOGP
3.92
XLogP3
4.4
Consensus LogP
4.25
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
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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