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CAS 71255-78-2 2-(1,3-Benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine molecular structure lightbox
CAS RN: 71255-78-2

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

Product Availability

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7 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260107 1g In stock Inquiry
Batchno.20250911 25g In stock Inquiry
Batchno.20260524 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260430 100g Out of stock Inquiry
Batchno.20250902 1g Out of stock Inquiry
Batchno.20250914 25g Out of stock Inquiry
Batchno.20250803 5g Out of stock Inquiry
  • Product code: SSC-180903
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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 71255-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

71255-78-2 / 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Standard CAS: 71255-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71255-78-2
Multi CAS
No
Molecular Formula
C12H5CL6N3O2
Molecular Weight
435.900000
Exact Mass
434.848342
InChI
InChI=1S/C12H5Cl6N3O2/c13-11(14,15)9-19-8(20-10(21-9)12(16,17)18)5-1-2-6-7(3-5)23-4-22-6/h1-3H,4H2
InChIKey
BFQFFNWLTHFJOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
89.86
TPSA
57.13

LogP / Solubility

WLOGP
4.92
MLOGP
4.36
XLogP3
5
Consensus LogP
4.76
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
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)
-1.89

Drug-likeness / Medicinal Chemistry

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

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