CAS RN: 350678-63-6
1-(3-(1H-imidazol-1-yl)propyl)-4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
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.20260131 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS350678-63-6
- Purity/Analytical Methods: >99.0%
350678-63-6 / 5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Basic Information
CAS
350678-63-6
Multi CAS
Yes
Molecular Formula
C23FH20N3O3
Molecular Weight
405.400000
Exact Mass
405.148870
InChI
InChI=1S/C23H20FN3O3/c24-18-9-7-16(8-10-18)20-19(21(28)17-5-2-1-3-6-17)22(29)23(30)27(20)13-4-12-26-14-11-25-15-26/h1-3,5-11,14-15,20,28H,4,12-13H2/b21-19+
InChIKey
WZHIJKGQYGXRHB-XUTLUUPISA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
108.7
TPSA
75.43
LogP / Solubility
WLOGP
3.53
MLOGP
3.13
XLogP3
3.1
Consensus LogP
3.25
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.68
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
3.5
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