![CAS 160588-45-4 10,10-BIS[(2-FLUORO-4-PYRIDINYL)METHYL]-9(10H)-ANTHRACENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/160588-45-4.gif)
CAS RN: 160588-45-4
10,10-BIS[(2-FLUORO-4-PYRIDINYL)METHYL]-9(10H)-ANTHRACENONE
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS160588-45-4
- Purity/Analytical Methods: >99.0%
160588-45-4 / 10,10-bis[(2-fluoro-4-pyridinyl)methyl]anthracen-9-one
Basic Information
CAS
160588-45-4
Multi CAS
No
Molecular Formula
C26H18F2N2O
Molecular Weight
412.400000
Exact Mass
412.138720
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC(=NC=C4)F)CC5=CC(=NC=C5)F
InChI
InChI=1S/C26H18F2N2O/c27-23-13-17(9-11-29-23)15-26(16-18-10-12-30-24(28)14-18)21-7-3-1-5-19(21)25(31)20-6-2-4-8-22(20)26/h1-14H,15-16H2
InChIKey
MUJBUUDUXGDXLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
112.89
TPSA
42.85
LogP / Solubility
WLOGP
5.07
MLOGP
4.49
XLogP3
5.8
Consensus LogP
5.12
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.03
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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