![CAS 2036123-00-7 2-([1,1′-biphenyl]-4-yl)-4-(3-bromophenyl)-6-phenylpyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2036123-00-7.png)
CAS RN: 2036123-00-7
2-([1,1′-biphenyl]-4-yl)-4-(3-bromophenyl)-6-phenylpyrimidine
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.20250505 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2036123-00-7
- Purity/Analytical Methods: >99.0%
2036123-00-7 / 4-(3-bromophenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
Basic Information
CAS
2036123-00-7
Multi CAS
No
Molecular Formula
C28H19BrN2
Molecular Weight
463.400000
Exact Mass
462.073160
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=CC(=N3)C4=CC(=CC=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C28H19BrN2/c29-25-13-7-12-24(18-25)27-19-26(22-10-5-2-6-11-22)30-28(31-27)23-16-14-21(15-17-23)20-8-3-1-4-9-20/h1-19H
InChIKey
CHJKFEZSFBFHJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
131.48
TPSA
25.78
LogP / Solubility
WLOGP
7.91
MLOGP
6.99
XLogP3
7.5
Consensus LogP
7.47
Log S (ESOL)
-8.15
Class (ESOL)
Insoluble
Log S (Ali)
-9.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.71
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)
0.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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