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CAS 1169964-41-3 2,4,6-tris(4-(bromomethyl)phenyl)-1,3,5-triazine molecular structure lightbox
CAS RN: 1169964-41-3

2,4,6-tris(4-(bromomethyl)phenyl)-1,3,5-triazine

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250504 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batchno.20260311 10g In stock Tianjin Inquiry
Batchno.20250413 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250911 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251104 25g Out of stock Inquiry
Batchno.20260429 5g In stock Shanghai Inquiry
  • Product code: LINT887508
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1169964-41-3 / 2,4,6-tris[4-(bromomethyl)phenyl]-1,3,5-triazine

2,4,6-tris(4-(bromomethyl)phenyl)-1,3,5-triazine | 2,4,6-tris[4-(bromomethyl)phenyl]-1,3,5-triazine | 1,3,5-Triazine, 2,4,6-tris[4-(bromomethyl)phenyl]-

Standard CAS: 1169964-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1169964-41-3
Multi CAS
No
Molecular Formula
C24H18Br3N3
Molecular Weight
588.100000
Exact Mass
586.903040
SMILES
C1=CC(=CC=C1CBr)C2=NC(=NC(=N2)C3=CC=C(C=C3)CBr)C4=CC=C(C=C4)CBr
InChI
InChI=1S/C24H18Br3N3/c25-13-16-1-7-19(8-2-16)22-28-23(20-9-3-17(14-26)4-10-20)30-24(29-22)21-11-5-18(15-27)6-12-21/h1-12H,13-15H2
InChIKey
IOJQCIAKNZPJAN-UHFFFAOYSA-N
Synonyms
2,4,6-tris(4-(bromomethyl)phenyl)-1,3,5-triazine 2,4,6-tris[4-(bromomethyl)phenyl]-1,3,5-triazine 1,3,5-Triazine, 2,4,6-tris[4-(bromomethyl)phenyl]- MFCD27965501 YSZC184

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
134.03
TPSA
38.67

LogP / Solubility

WLOGP
7.56
MLOGP
6.7
XLogP3
6.6
Consensus LogP
6.95
Log S (ESOL)
-8.44
Class (ESOL)
Insoluble
Log S (Ali)
-9.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.48
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)
-0.94

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
3

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