CAS RN: 442898-49-9
442898-49-9
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.20250528 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS442898-49-9
- Purity/Analytical Methods: >99.0%
442898-49-9 / N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-fluorobenzamide
Basic Information
CAS
442898-49-9
Multi CAS
No
Molecular Formula
C23FH25N4O
Molecular Weight
392.500000
Exact Mass
392.201240
InChI
InChI=1S/C23H25FN4O/c1-3-27-10-12-28(13-11-27)22-14-16(2)19-15-17(8-9-21(19)26-22)25-23(29)18-6-4-5-7-20(18)24/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,29)
InChIKey
HWRUNWBXXHIFEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
115.16
TPSA
48.47
LogP / Solubility
WLOGP
4.08
MLOGP
3.61
XLogP3
4.1
Consensus LogP
3.93
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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