![CAS 2279137-61-8 2-([1,1′-biphenyl]-2-yl)-4-([1,1′-biphenyl]-4-yl)-6-chloro-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2279137-61-8.gif)
CAS RN: 2279137-61-8
2-([1,1′-biphenyl]-2-yl)-4-([1,1′-biphenyl]-4-yl)-6-chloro-1,3,5-triazine
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.20260103 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2279137-61-8
- Purity/Analytical Methods: >99.0%
2279137-61-8 / 2-chloro-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
Basic Information
CAS
2279137-61-8
Multi CAS
No
Molecular Formula
C27H18ClN3
Molecular Weight
419.900000
Exact Mass
419.118925
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)Cl)C4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C27H18ClN3/c28-27-30-25(22-17-15-20(16-18-22)19-9-3-1-4-10-19)29-26(31-27)24-14-8-7-13-23(24)21-11-5-2-6-12-21/h1-18H
InChIKey
JTIDSLLLZDWOHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
126.58
TPSA
38.67
LogP / Solubility
WLOGP
7.19
MLOGP
6.36
XLogP3
7.5
Consensus LogP
7.02
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.84
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)
-0.17
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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