CAS RN: 6964-62-1
NSC 66811
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 100mg | Out of stock | Inquiry | |
| Batchno.20251229 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260103 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260423 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250106 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250908 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260417 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTM2390
- Purity/Analytical Methods: >98.0%(GC)
6964-62-1 / 7-[anilino(phenyl)methyl]-2-methylquinolin-8-ol
Basic Information
CAS
6964-62-1
Multi CAS
Yes
Molecular Formula
C23H20N2O
Molecular Weight
340.400000
Exact Mass
340.157563
InChI
InChI=1S/C23H20N2O/c1-16-12-13-18-14-15-20(23(26)22(18)24-16)21(17-8-4-2-5-9-17)25-19-10-6-3-7-11-19/h2-15,21,25-26H,1H3
InChIKey
WEENRMPCSWFMTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
22
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.49
TPSA
45.15
LogP / Solubility
WLOGP
5.45
MLOGP
4.81
XLogP3
5.4
Consensus LogP
5.22
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
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
No
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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