![CAS 1643448-24-1 1,3,5-Triazine, 2-[3-chloro-5-(3-pyridinyl)phenyl]-4,6-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1643448-24-1.gif)
CAS RN: 1643448-24-1
1,3,5-Triazine, 2-[3-chloro-5-(3-pyridinyl)phenyl]-4,6-diphenyl-
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.20250221 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1643448-24-1
- Purity/Analytical Methods: >99.0%
1643448-24-1 / 2-(3-chloro-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
Basic Information
CAS
1643448-24-1
Multi CAS
No
Molecular Formula
C26H17ClN4
Molecular Weight
420.900000
Exact Mass
420.114174
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)C4=CN=CC=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C26H17ClN4/c27-23-15-21(20-12-7-13-28-17-20)14-22(16-23)26-30-24(18-8-3-1-4-9-18)29-25(31-26)19-10-5-2-6-11-19/h1-17H
InChIKey
TUGARUSZRKUTIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
124.38
TPSA
51.56
LogP / Solubility
WLOGP
6.59
MLOGP
5.82
XLogP3
6.1
Consensus LogP
6.17
Log S (ESOL)
-7.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
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
Yes
Log Kp (skin permeation)
-0.61
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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