CAS RN: 1290546-48-3
Sorafenib Impurity 11
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260606 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1290546-48-3
- Purity/Analytical Methods: >99.0%
1290546-48-3 / 4-[4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
Basic Information
CAS
1290546-48-3
Multi CAS
No
Molecular Formula
C21H16ClF3N4O3
Molecular Weight
464.800000
Exact Mass
464.086303
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-3-13(4-6-14)28-20(31)29-17-10-12(21(23,24)25)2-7-16(17)22/h2-11H,1H3,(H,26,30)(H2,28,29,31)
InChIKey
VHVLVMDTKWRZCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
113.24
TPSA
92.35
LogP / Solubility
WLOGP
5.55
MLOGP
4.92
XLogP3
4.1
Consensus LogP
4.86
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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