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CAS 154880-05-4 2-[2-(Furan-2-yl)vinyl]-4,6-bis(trichloromethyl)-1,3,5-triazine molecular structure lightbox
CAS RN: 154880-05-4

2-[2-(Furan-2-yl)vinyl]-4,6-bis(trichloromethyl)-1,3,5-triazine

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250813 1g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260418 1g Out of stock Inquiry
  • Product code: SSC-064214
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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 154880-05-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

154880-05-4 / 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine

Standard CAS: 154880-05-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154880-05-4
Multi CAS
No
Molecular Formula
C11H5Cl6N3O
Molecular Weight
407.900000
Exact Mass
406.853428
SMILES
C1=COC(=C1)/C=C/C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C11H5Cl6N3O/c12-10(13,14)8-18-7(4-3-6-2-1-5-21-6)19-9(20-8)11(15,16)17/h1-5H/b4-3+
InChIKey
PNDRGJCVJPHPOZ-ONEGZZNKSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
85.94
TPSA
51.81

LogP / Solubility

WLOGP
5.29
MLOGP
4.68
XLogP3
4.7
Consensus LogP
4.89
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
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)
-1.45

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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