![CAS 1393350-29-2 Pyrimidine, 4-[1,1′-biphenyl]-4-yl-6-(3,5-dibromophenyl)-2-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1393350-29-2.gif)
CAS RN: 1393350-29-2
Pyrimidine, 4-[1,1′-biphenyl]-4-yl-6-(3,5-dibromophenyl)-2-phenyl-
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.20250813 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1393350-29-2
- Purity/Analytical Methods: >99.0%
1393350-29-2 / 4-(3,5-dibromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
Basic Information
CAS
1393350-29-2
Multi CAS
No
Molecular Formula
C28H18Br2N2
Molecular Weight
542.300000
Exact Mass
541.981620
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)C5=CC(=CC(=C5)Br)Br
InChI
InChI=1S/C28H18Br2N2/c29-24-15-23(16-25(30)17-24)27-18-26(31-28(32-27)22-9-5-2-6-10-22)21-13-11-20(12-14-21)19-7-3-1-4-8-19/h1-18H
InChIKey
UHCYUVNJVPRFGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
139.18
TPSA
25.78
LogP / Solubility
WLOGP
8.67
MLOGP
7.67
XLogP3
8.2
Consensus LogP
8.18
Log S (ESOL)
-9.09
Class (ESOL)
Insoluble
Log S (Ali)
-10.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.86
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)
0.13
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3.5
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