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CAS 1073062-42-6 2-(3-broMo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine molecular structure lightbox
CAS RN: 1073062-42-6

2-(3-broMo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251110 100g Out of stock Inquiry
Batchno.20260616 25g Out of stock Inquiry
Batchno.20260225 5g Out of stock Inquiry
  • Product code: SSC-008850
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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: 5g
  • Available purity: ≥95%
  • 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 1073062-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1073062-42-6 / 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine

2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine | RefChem:455215 | 948-402-3

Standard CAS: 1073062-42-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1073062-42-6
Multi CAS
No
Molecular Formula
C21H13BrClN3
Molecular Weight
422.700000
Exact Mass
420.998140
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H13BrClN3/c22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13H
InChIKey
BLKKWMCDZNDYEQ-UHFFFAOYSA-N
Synonyms
2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine RefChem:455215 948-402-3 2-(3-bromo-5-chlorophenyl )-4,6-diphenyl-1,3,5-triazine MFCD28559269

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
108.84
TPSA
38.67

LogP / Solubility

WLOGP
6.29
MLOGP
5.56
XLogP3
6.3
Consensus LogP
6.05
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.99
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)
-0.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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