CAS RN: 200933-14-8
M-3M3FBS
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251118 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250510 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250108 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250424 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260619 | 50mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250225 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS200933-14-8
- Purity/Analytical Methods: >99.0%
200933-14-8 / 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Basic Information
CAS
200933-14-8
Multi CAS
No
Molecular Formula
C16H16F3NO2S
Molecular Weight
343.400000
Exact Mass
343.085384
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C
InChI
InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3
InChIKey
ZIIUUSVHCHPIQD-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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 200940-22-3 1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/200940-22-3.gif)
