CAS RN: 886762-45-4
4-(4-FLUOROPHENOXY)IODOBENZENE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS886762-45-4
- Purity/Analytical Methods: >99.0%
886762-45-4 / 1-fluoro-4-(4-iodophenoxy)benzene
Basic Information
CAS
886762-45-4
Multi CAS
No
Molecular Formula
C12FH8IO
Molecular Weight
314.090000
Exact Mass
313.960390
InChI
InChI=1S/C12H8FIO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
VMSOWDQSUSZYOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
65.63
TPSA
9.23
LogP / Solubility
WLOGP
4.22
MLOGP
3.73
XLogP3
4.2
Consensus LogP
4.05
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
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
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
