CAS RN: 2141961-84-2
Regorafenib impurity H
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.20250803 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2141961-84-2
- Purity/Analytical Methods: >99.0%
2141961-84-2 / 4-(4-acetamido-3-fluorophenoxy)-N-methylpyridine-2-carboxamide
Basic Information
CAS
2141961-84-2
Multi CAS
No
Molecular Formula
C15H14FN3O3
Molecular Weight
303.290000
Exact Mass
303.101919
SMILES
CC(=O)NC1=C(C=C(C=C1)OC2=CC(=NC=C2)C(=O)NC)F
InChI
InChI=1S/C15H14FN3O3/c1-9(20)19-13-4-3-10(7-12(13)16)22-11-5-6-18-14(8-11)15(21)17-2/h3-8H,1-2H3,(H,17,21)(H,19,20)
InChIKey
ZHTVSLUXXXPLNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.4
TPSA
80.32
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
1.3
Consensus LogP
1.9
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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