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CAS 42880-07-9 2-(3,4-Dimethoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine molecular structure lightbox
CAS RN: 42880-07-9

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251025 1g Out of stock Inquiry
  • Product code: SSC-151168
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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: ≥98%
  • 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 42880-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

42880-07-9 / 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine

Standard CAS: 42880-07-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42880-07-9
Multi CAS
Yes
Molecular Formula
C15H11CL6N3O2
Molecular Weight
478.000000
Exact Mass
476.895293
InChI
InChI=1S/C15H11Cl6N3O2/c1-25-9-5-3-8(7-10(9)26-2)4-6-11-22-12(14(16,17)18)24-13(23-11)15(19,20)21/h3-7H,1-2H3/b6-4+
InChIKey
ZJRNXDIVAGHETA-GQCTYLIASA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
106.77
TPSA
57.13

LogP / Solubility

WLOGP
5.71
MLOGP
5.06
XLogP3
5.5
Consensus LogP
5.42
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.6
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)
-1.58

Drug-likeness / Medicinal Chemistry

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

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