CAS RN: 1383450-81-4
GTQTUABHRCWVLL-UHFFFAOYSA-N
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.20251205 | 100mg | Out of stock | Inquiry | |
| Batchno.20250425 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251225 | 250mg | Out of stock | Inquiry | |
| Batchno.20250927 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250314 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260404 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1383450-81-4
- Purity/Analytical Methods: >99.0%
1383450-81-4 / 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one
Basic Information
CAS
1383450-81-4
Multi CAS
No
Molecular Formula
C21H20ClF3N4O3S
Molecular Weight
500.900000
Exact Mass
500.089674
SMILES
CS(=O)(=O)CCCN1C2=C(C=C(C=C2)Cl)C=C1CN3C4=C(C=CN=C4)N(C3=O)CC(F)(F)F
InChI
InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3
InChIKey
GTQTUABHRCWVLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
120.43
TPSA
78.89
LogP / Solubility
WLOGP
3.85
MLOGP
3.43
XLogP3
2.9
Consensus LogP
3.39
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04
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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