![CAS 1256349-48-0 1-Naphthalenecarboxamide, N-(2-aminophenyl)-6-[(7-methoxy-4-quinolinyl)oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256349-48-0.gif)
CAS RN: 1256349-48-0
1-Naphthalenecarboxamide, N-(2-aminophenyl)-6-[(7-methoxy-4-quinolinyl)oxy]-
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260104 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1256349-48-0
- Purity/Analytical Methods: >99.0%
1256349-48-0 / N-(2-aminophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
Basic Information
CAS
1256349-48-0
Multi CAS
No
Molecular Formula
C27H21N3O3
Molecular Weight
435.500000
Exact Mass
435.158292
SMILES
COC1=CC2=NC=CC(=C2C=C1)OC3=CC4=C(C=C3)C(=CC=C4)C(=O)NC5=CC=CC=C5N
InChI
InChI=1S/C27H21N3O3/c1-32-18-9-12-22-25(16-18)29-14-13-26(22)33-19-10-11-20-17(15-19)5-4-6-21(20)27(31)30-24-8-3-2-7-23(24)28/h2-16H,28H2,1H3,(H,30,31)
InChIKey
BRKWREZNORONDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
26
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
131.12
TPSA
86.47
LogP / Solubility
WLOGP
6.02
MLOGP
5.33
XLogP3
5.1
Consensus LogP
5.48
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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