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CAS 443922-06-3 Benzaldehyde,4,4′,4”-(1,3,5-triazine-2,4,6-triyl)tris- molecular structure lightbox
CAS RN: 443922-06-3

Benzaldehyde,4,4′,4”-(1,3,5-triazine-2,4,6-triyl)tris-

  • Product code: SSC-152386
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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 443922-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

443922-06-3 / 4-[4,6-bis(4-formylphenyl)-1,3,5-triazin-2-yl]benzaldehyde

Standard CAS: 443922-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
443922-06-3
Multi CAS
No
Molecular Formula
C24H15N3O3
Molecular Weight
393.400000
Exact Mass
393.111341
InChI
InChI=1S/C24H15N3O3/c28-13-16-1-7-19(8-2-16)22-25-23(20-9-3-17(14-29)4-10-20)27-24(26-22)21-11-5-18(15-30)6-12-21/h1-15H
InChIKey
RXFWPOMAJBVGRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
112.3
TPSA
89.88

LogP / Solubility

WLOGP
4.31
MLOGP
3.82
XLogP3
3.3
Consensus LogP
3.81
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06

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
3

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