CAS RN: 284461-74-1
Sorafenib related compound 12
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS284461-74-1
- Purity/Analytical Methods: >99.0%
284461-74-1 / 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
Basic Information
CAS
284461-74-1
Multi CAS
Yes
Molecular Formula
C20H14CLF3N4O3
Molecular Weight
450.800000
Exact Mass
450.070653
InChI
InChI=1S/C20H14ClF3N4O3/c21-16-6-3-12(9-15(16)20(22,23)24)28-19(30)27-11-1-4-13(5-2-11)31-14-7-8-26-17(10-14)18(25)29/h1-10H,(H2,25,29)(H2,27,28,30)
InChIKey
UAEWBZYTKIMYRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
108.37
TPSA
106.34
LogP / Solubility
WLOGP
5.29
MLOGP
4.68
XLogP3
3.7
Consensus LogP
4.56
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.71
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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