![CAS 2085262-87-7 2-Biphenyl-4-yl-4-(3-chloro-phenyl)-6-phenyl-[1,3,5]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2085262-87-7.png)
CAS RN: 2085262-87-7
2-Biphenyl-4-yl-4-(3-chloro-phenyl)-6-phenyl-[1,3,5]triazine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2085262-87-7
- Purity/Analytical Methods: >99.0%
2085262-87-7 / 2-(3-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
Basic Information
CAS
2085262-87-7
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)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C27H18ClN3/c28-24-13-7-12-23(18-24)27-30-25(21-10-5-2-6-11-21)29-26(31-27)22-16-14-20(15-17-22)19-8-3-1-4-9-19/h1-18H
InChIKey
RTQGBLVWKHLKDA-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
7.6
Consensus LogP
7.05
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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