CAS RN: 2561-25-3
1-(4-Fluorophenoxy)-4-nitrobenzene
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250930 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2561-25-3
- Purity/Analytical Methods: >99.0%
2561-25-3 / 1-(4-fluorophenoxy)-4-nitrobenzene
Basic Information
CAS
2561-25-3
Multi CAS
No
Molecular Formula
C12H8FNO3
Molecular Weight
233.190000
Exact Mass
233.048821
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)F
InChI
InChI=1S/C12H8FNO3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H
InChIKey
QJTHFMCXPLYBAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
59.57
TPSA
52.37
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
3.9
Consensus LogP
3.51
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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