CAS RN: 2363169-01-9
c-Kit-IN-3
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250724 | 1mg / 5mg / 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2363169-01-9
- Purity/Analytical Methods: >99.0%
2363169-01-9 / 2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
Basic Information
CAS
2363169-01-9
Multi CAS
No
Molecular Formula
C26H20ClF3N2O4
Molecular Weight
516.900000
Exact Mass
516.106369
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)CC4=CC(=C(C=C4)Cl)C(F)(F)F
InChI
InChI=1S/C26H20ClF3N2O4/c1-34-23-13-18-21(14-24(23)35-2)31-10-9-22(18)36-17-6-4-16(5-7-17)32-25(33)12-15-3-8-20(27)19(11-15)26(28,29)30/h3-11,13-14H,12H2,1-2H3,(H,32,33)
InChIKey
YOHLRCOPRAVUCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
22
Fraction Csp3
0.15
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
130.15
TPSA
69.68
LogP / Solubility
WLOGP
6.9
MLOGP
6.11
XLogP3
5.9
Consensus LogP
6.3
Log S (ESOL)
-7.38
Class (ESOL)
Insoluble
Log S (Ali)
-8.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.98
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
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