![CAS 1415834-63-7 N-[4-[(4-Chlorophenyl)Methoxy]-2-pyridinyl]-2,6-difluoro-benzeneacetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415834-63-7.gif)
CAS RN: 1415834-63-7
N-[4-[(4-Chlorophenyl)Methoxy]-2-pyridinyl]-2,6-difluoro-benzeneacetaMide
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.20250126 | 5mg / 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1415834-63-7
- Purity/Analytical Methods: >99.0%
1415834-63-7 / N-[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide
Basic Information
CAS
1415834-63-7
Multi CAS
No
Molecular Formula
C20H15ClF2N2O2
Molecular Weight
388.800000
Exact Mass
388.079012
SMILES
C1=CC(=C(C(=C1)F)CC(=O)NC2=NC=CC(=C2)OCC3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C20H15ClF2N2O2/c21-14-6-4-13(5-7-14)12-27-15-8-9-24-19(10-15)25-20(26)11-16-17(22)2-1-3-18(16)23/h1-10H,11-12H2,(H,24,25,26)
InChIKey
GISJHCLTIVIGLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98.71
TPSA
51.22
LogP / Solubility
WLOGP
4.77
MLOGP
4.22
XLogP3
4.3
Consensus LogP
4.43
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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