![CAS 2314467-59-7 4(3H)-Quinazolinone, 8-fluoro-3-[4-(4-fluorophenoxy)phenyl]-2-(4-methyl-1-piperazinyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2314467-59-7.gif)
CAS RN: 2314467-59-7
4(3H)-Quinazolinone, 8-fluoro-3-[4-(4-fluorophenoxy)phenyl]-2-(4-methyl-1-piperazinyl)-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250712 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2314467-59-7
- Purity/Analytical Methods: >99.0%
2314467-59-7 / 8-fluoro-3-[4-(4-fluorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one
Basic Information
CAS
2314467-59-7
Multi CAS
No
Molecular Formula
C25H22F2N4O2
Molecular Weight
448.500000
Exact Mass
448.171082
SMILES
CN1CCN(CC1)C2=NC3=C(C=CC=C3F)C(=O)N2C4=CC=C(C=C4)OC5=CC=C(C=C5)F
InChI
InChI=1S/C25H22F2N4O2/c1-29-13-15-30(16-14-29)25-28-23-21(3-2-4-22(23)27)24(32)31(25)18-7-11-20(12-8-18)33-19-9-5-17(26)6-10-19/h2-12H,13-16H2,1H3
InChIKey
NUGPMKZYSBKNPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
123.48
TPSA
50.6
LogP / Solubility
WLOGP
4.21
MLOGP
3.73
XLogP3
4
Consensus LogP
3.98
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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