![CAS 1852465-76-9 4-[1,1′-Biphenyl]-3-yl-6-chloro-2-phenylpyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1852465-76-9.gif)
CAS RN: 1852465-76-9
4-[1,1′-Biphenyl]-3-yl-6-chloro-2-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.20251231 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1852465-76-9
- Purity/Analytical Methods: >99.0%
1852465-76-9 / 4-chloro-2-phenyl-6-(3-phenylphenyl)pyrimidine
Basic Information
CAS
1852465-76-9
Multi CAS
No
Molecular Formula
C22H15ClN2
Molecular Weight
342.800000
Exact Mass
342.092376
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)Cl
InChI
InChI=1S/C22H15ClN2/c23-21-15-20(24-22(25-21)17-10-5-2-6-11-17)19-13-7-12-18(14-19)16-8-3-1-4-9-16/h1-15H
InChIKey
JXMRCKWFADPEQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
103.35
TPSA
25.78
LogP / Solubility
WLOGP
6.13
MLOGP
5.41
XLogP3
6.1
Consensus LogP
5.88
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
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
No
Log Kp (skin permeation)
-0.46
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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![CAS 1852465-84-9 Pyrimidine, 4-chloro-2-phenyl-6-[1,1′:3′,1”-terphenyl]-5′-yl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1852465-84-9.gif)
