CAS RN: 1996629-79-8
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11 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250423 | 100mg | In stock | Inquiry | |
| Batchno.20260205 | 10mg | In stock | Inquiry | |
| Batchno.20251011 | 1mg | In stock | Inquiry | |
| Batchno.20250105 | 250mg | Out of stock | Inquiry | |
| Batchno.20250313 | 25mg | In stock | Inquiry | |
| Batchno.20250516 | 500mg | Out of stock | Inquiry | |
| Batchno.20250909 | 50mg | In stock | Inquiry | |
| Batchno.20251031 | 5mg | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1996629-79-8
- Purity/Analytical Methods: >99.0%
1996629-79-8 / 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
Basic Information
CAS
1996629-79-8
Multi CAS
No
Molecular Formula
C24H21F3N2O4S
Molecular Weight
490.500000
Exact Mass
490.117413
SMILES
C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C24H21F3N2O4S/c25-24(26,27)20-5-3-4-19(14-20)17-6-8-18(9-7-17)22(30)16-28-15-21(10-11-23(28)31)34(32,33)29-12-1-2-13-29/h3-11,14-15H,1-2,12-13,16H2
InChIKey
ZMPDEBWNVHAKBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
119.91
TPSA
76.45
LogP / Solubility
WLOGP
4.2
MLOGP
3.73
XLogP3
3.7
Consensus LogP
3.88
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1997306-76-9 Pyridine, 2-[(4S,5R)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-5-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1997306-76-9.gif)
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