CAS RN: 266349-83-1
4,4′-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)biphenyl
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
- Product code: SSC-124687
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
266349-83-1 / 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
Basic Information
CAS
266349-83-1
Multi CAS
No
Molecular Formula
C42H28N6
Molecular Weight
616.700000
Exact Mass
616.237545
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C42H28N6/c1-5-13-31(14-6-1)37-43-38(32-15-7-2-8-16-32)46-41(45-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)42-47-39(33-17-9-3-10-18-33)44-40(48-42)34-19-11-4-12-20-34/h1-28H
InChIKey
UICMBMCOVLMLIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
48
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
191.26
TPSA
77.34
LogP / Solubility
WLOGP
9.73
MLOGP
8.61
XLogP3
9.6
Consensus LogP
9.31
Log S (ESOL)
-10.07
Class (ESOL)
Insoluble
Log S (Ali)
-11.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.42
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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