CAS RN: 1626364-13-3
4,4′-difluorodiphenyl sulfone
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.20260226 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1626364-13-3
- Purity/Analytical Methods: >99.0%
1626364-13-3 / 1-fluoro-4-[4-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]benzene
Basic Information
CAS
1626364-13-3
Multi CAS
No
Molecular Formula
C24H16F2O2S
Molecular Weight
406.400000
Exact Mass
406.083907
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)F
InChI
InChI=1S/C24H16F2O2S/c25-21-9-1-17(2-10-21)19-5-13-23(14-6-19)29(27,28)24-15-7-20(8-16-24)18-3-11-22(26)12-4-18/h1-16H
InChIKey
FQBRBGXGXDUSSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
109.12
TPSA
34.14
LogP / Solubility
WLOGP
6.13
MLOGP
5.42
XLogP3
6.2
Consensus LogP
5.92
Log S (ESOL)
-6.57
Class (ESOL)
Insoluble
Log S (Ali)
-7.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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