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CAS 2130745-76-3 4′,4”’,4””’-(1,3,5-triazine-2,4,6-triyl)tris(([1,1′-biphenyl]-4-amine)) molecular structure lightbox
CAS RN: 2130745-76-3

4′,4”’,4””’-(1,3,5-triazine-2,4,6-triyl)tris(([1,1′-biphenyl]-4-amine))

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250310 100mg In stock Inquiry
Batchno.20250528 1g In stock Inquiry
Batchno.20250913 250mg In stock Inquiry
Batchno.20250425 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260610 100mg In stock Shanghai Inquiry
Batchno.20250706 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20260207 25g Out of stock 5-7 business days Inquiry
Batchno.20251030 500mg In stock Shanghai, Shandong Inquiry
Batchno.20250929 5g In stock Shandong Inquiry
  • Product code: SSC-101735
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2130745-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2130745-76-3 / 4-[4-[4,6-bis[4-(4-aminophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]aniline

Standard CAS: 2130745-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2130745-76-3
Multi CAS
No
Molecular Formula
C39H30N6
Molecular Weight
582.700000
Exact Mass
582.253195
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=C(C=C5)N)C6=CC=C(C=C6)C7=CC=C(C=C7)N
InChI
InChI=1S/C39H30N6/c40-34-19-13-28(14-20-34)25-1-7-31(8-2-25)37-43-38(32-9-3-26(4-10-32)29-15-21-35(41)22-16-29)45-39(44-37)33-11-5-27(6-12-33)30-17-23-36(42)24-18-30/h1-24H,40-42H2
InChIKey
YZHZLVSLFBPKBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
42
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
185.68
TPSA
116.73

LogP / Solubility

WLOGP
8.62
MLOGP
7.63
XLogP3
7.8
Consensus LogP
8.02
Log S (ESOL)
-9.18
Class (ESOL)
Insoluble
Log S (Ali)
-10.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.15

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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