CAS RN: 1991986-30-1
ML364
Product Availability
Choose a grade to view its available package options.
8 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260329 | 100mg | Out of stock | Inquiry | |
| Batchno.20251215 | 10mg | Out of stock | Inquiry | |
| Batchno.20250704 | 1g | Out of stock | Inquiry | |
| Batchno.20250730 | 1mg | Out of stock | Inquiry | |
| Batchno.20250910 | 250mg | Out of stock | Inquiry | |
| Batchno.20250508 | 25mg | In stock | Wuhan | Inquiry |
| Batchno.20260316 | 50mg | Out of stock | Inquiry | |
| Batchno.20251019 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1991986-30-1
- Purity/Analytical Methods: >99.0%
1991986-30-1 / 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
Basic Information
CAS
1991986-30-1
Multi CAS
No
Molecular Formula
C24H18F3N3O3S2
Molecular Weight
517.500000
Exact Mass
517.074168
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=NC(=CS3)C4=CC=CC=C4
InChI
InChI=1S/C24H18F3N3O3S2/c1-15-7-10-18(11-8-15)35(32,33)30-20-13-17(24(25,26)27)9-12-19(20)22(31)29-23-28-21(14-34-23)16-5-3-2-4-6-16/h2-14,30H,1H3,(H,28,29,31)
InChIKey
QZUGMNXETPARLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
23
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
128.93
TPSA
88.16
LogP / Solubility
WLOGP
6.19
MLOGP
5.49
XLogP3
6.1
Consensus LogP
5.93
Log S (ESOL)
-7.04
Class (ESOL)
Insoluble
Log S (Ali)
-8.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3
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