![CAS 2412445-74-8 1,3,5-Triazine, 2-[1,1′-biphenyl]-2-yl-4-[1,1′-biphenyl]-4-yl-6-(3-chlorophenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2412445-74-8.gif)
CAS RN: 2412445-74-8
1,3,5-Triazine, 2-[1,1′-biphenyl]-2-yl-4-[1,1′-biphenyl]-4-yl-6-(3-chlorophenyl)-
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.20250528 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2412445-74-8
- Purity/Analytical Methods: >99.0%
2412445-74-8 / 2-(3-chlorophenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
Basic Information
CAS
2412445-74-8
Multi CAS
No
Molecular Formula
C33H22ClN3
Molecular Weight
496.000000
Exact Mass
495.150225
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4C5=CC=CC=C5)C6=CC(=CC=C6)Cl
InChI
InChI=1S/C33H22ClN3/c34-28-15-9-14-27(22-28)32-35-31(26-20-18-24(19-21-26)23-10-3-1-4-11-23)36-33(37-32)30-17-8-7-16-29(30)25-12-5-2-6-13-25/h1-22H
InChIKey
YXDONJWSTABUPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
36
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
152.02
TPSA
38.67
LogP / Solubility
WLOGP
8.86
MLOGP
7.83
XLogP3
8.8
Consensus LogP
8.5
Log S (ESOL)
-8.89
Class (ESOL)
Insoluble
Log S (Ali)
-10.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.84
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)
0.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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