CAS RN: 2003260-55-5
Benzamide, 3-(8-hydroxy-6-quinolinyl)-N-(3-phenylpropyl)-
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260125 | 100mg | Out of stock | Inquiry | |
| Batchno.20250127 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250330 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260405 | 250mg | Out of stock | Inquiry | |
| Batchno.20260115 | 50mg | Out of stock | Inquiry | |
| Batchno.20260529 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2003260-55-5
- Purity/Analytical Methods: >99.0%
2003260-55-5 / 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide
Basic Information
CAS
2003260-55-5
Multi CAS
No
Molecular Formula
C25H22N2O2
Molecular Weight
382.500000
Exact Mass
382.168128
SMILES
C1=CC=C(C=C1)CCCNC(=O)C2=CC=CC(=C2)C3=CC(=C4C(=C3)C=CC=N4)O
InChI
InChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29)
InChIKey
NYKBXXGHEMXSBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
115.94
TPSA
62.22
LogP / Solubility
WLOGP
4.97
MLOGP
4.4
XLogP3
5.1
Consensus LogP
4.82
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
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)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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