CAS RN: 2089314-57-6
AOH1160
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.20250116 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2089314-57-6
- Purity/Analytical Methods: >99.0%
2089314-57-6 / N-[2-oxo-2-(2-phenoxyanilino)ethyl]naphthalene-1-carboxamide
Basic Information
CAS
2089314-57-6
Multi CAS
No
Molecular Formula
C25H20N2O3
Molecular Weight
396.400000
Exact Mass
396.147393
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H20N2O3/c28-24(17-26-25(29)21-14-8-10-18-9-4-5-13-20(18)21)27-22-15-6-7-16-23(22)30-19-11-2-1-3-12-19/h1-16H,17H2,(H,26,29)(H,27,28)
InChIKey
COPRLRLXDBSLET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.04
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.87
TPSA
67.43
LogP / Solubility
WLOGP
5
MLOGP
4.42
XLogP3
4.9
Consensus LogP
4.77
Log S (ESOL)
-5.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
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)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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