![CAS 1319736-15-6 Tetrakis[4-(4-phenylphenyl)pyridine]methane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/29641600.png)
CAS RN: 1319736-15-6
Tetrakis[4-(4-phenylphenyl)pyridine]methane
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.20260613 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINT914269
1319736-15-6 / 4-[4-[tris(4-pyridin-4-ylphenyl)methyl]phenyl]pyridine
Basic Information
CAS
1319736-15-6
Multi CAS
No
Molecular Formula
C45H32N4
Molecular Weight
628.800000
Exact Mass
628.262697
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)C(C3=CC=C(C=C3)C4=CC=NC=C4)(C5=CC=C(C=C5)C6=CC=NC=C6)C7=CC=C(C=C7)C8=CC=NC=C8
InChI
InChI=1S/C45H32N4/c1-9-41(10-2-33(1)37-17-25-46-26-18-37)45(42-11-3-34(4-12-42)38-19-27-47-28-20-38,43-13-5-35(6-14-43)39-21-29-48-30-22-39)44-15-7-36(8-16-44)40-23-31-49-32-24-40/h1-32H
InChIKey
JTVXUFJCXRDJSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
48
Fraction Csp3
0.02
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
197.68
TPSA
51.56
LogP / Solubility
WLOGP
10.32
MLOGP
9.13
XLogP3
9.2
Consensus LogP
9.55
Log S (ESOL)
-10.44
Class (ESOL)
Insoluble
Log S (Ali)
-12.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.27
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)
0.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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