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CAS 22065-34-5 4,4′,4”-((1,3,5-triazine-2,4,6-triyl)tris(oxy))trianiline molecular structure lightbox
CAS RN: 22065-34-5

4,4′,4”-((1,3,5-triazine-2,4,6-triyl)tris(oxy))trianiline

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 10g In stock Shanghai Inquiry
Batchno.20260214 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250503 250mg In stock Shanghai Inquiry
Batchno.20250323 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 100mg / 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: LINT887522
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22065-34-5 / 4-[[4,6-bis(4-aminophenoxy)-1,3,5-triazin-2-yl]oxy]aniline

Standard CAS: 22065-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22065-34-5
Multi CAS
No
Molecular Formula
C21H18N6O3
Molecular Weight
402.400000
Exact Mass
402.144038
SMILES
C1=CC(=CC=C1N)OC2=NC(=NC(=N2)OC3=CC=C(C=C3)N)OC4=CC=C(C=C4)N
InChI
InChI=1S/C21H18N6O3/c22-13-1-7-16(8-2-13)28-19-25-20(29-17-9-3-14(23)4-10-17)27-21(26-19)30-18-11-5-15(24)6-12-18/h1-12H,22-24H2
InChIKey
GGWRKPJRGMCLQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
3
Molar refractivity
112.61
TPSA
144.42

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
3.5
Consensus LogP
3.68
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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