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CAS 3584-23-4 2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine molecular structure lightbox
CAS RN: 3584-23-4

2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260207 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260618 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250709 500g Out of stock Inquiry
Batchno.20250731 5g In stock Shanghai, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 25g In stock Shandong Inquiry
Batchno.20260220 5g In stock Shanghai, Shandong Inquiry
  • Product code: ICTM1245
  • Purity/Analytical Methods: >98.0%(GC)
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3584-23-4 / 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Standard CAS: 3584-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3584-23-4
Multi CAS
No
Molecular Formula
C12H7CL6N3O
Molecular Weight
421.900000
Exact Mass
420.869078
InChI
InChI=1S/C12H7Cl6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3
InChIKey
QRHHZFRCJDAUNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
90.29
TPSA
47.9

LogP / Solubility

WLOGP
5.2
MLOGP
4.6
XLogP3
4.9
Consensus LogP
4.9
Log S (ESOL)
-6
Class (ESOL)
Insoluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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