CAS RN: 175136-24-0
4-(4-FLUOROBENZYLOXY)-3-NITROACETOPHENONE
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.20250401 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS175136-24-0
- Purity/Analytical Methods: >99.0%
175136-24-0 / 1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
Basic Information
CAS
175136-24-0
Multi CAS
No
Molecular Formula
C15H12FNO4
Molecular Weight
289.260000
Exact Mass
289.075036
SMILES
CC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C15H12FNO4/c1-10(18)12-4-7-15(14(8-12)17(19)20)21-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3
InChIKey
XMYCVHFGYFJOJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
73.83
TPSA
69.44
LogP / Solubility
WLOGP
3.52
MLOGP
3.1
XLogP3
3
Consensus LogP
3.21
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
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
2.5
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