CAS RN: 372956-40-6
1,3,5-Tris(4′-fluorobiphenyl-4-yl)benzene
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.20250419 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTT3462
- Purity/Analytical Methods: >95.0%(HPLC)
372956-40-6 / 1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene
Basic Information
CAS
372956-40-6
Multi CAS
No
Molecular Formula
C42F3H27
Molecular Weight
588.700000
Exact Mass
588.206485
InChI
InChI=1S/C42H27F3/c43-40-19-13-31(14-20-40)28-1-7-34(8-2-28)37-25-38(35-9-3-29(4-10-35)32-15-21-41(44)22-16-32)27-39(26-37)36-11-5-30(6-12-36)33-17-23-42(45)24-18-33/h1-27H
InChIKey
KMIGKTQTBLIAJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
42
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
178.93
TPSA
0.0000
LogP / Solubility
WLOGP
12.11
MLOGP
10.7
XLogP3
12
Consensus LogP
11.6
Log S (ESOL)
-11.41
Class (ESOL)
Insoluble
Log S (Ali)
-13.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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