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CAS 883835-33-4 1,2,4,5-Tetrakis-(4-formylphenyl)benzene molecular structure lightbox
CAS RN: 883835-33-4

1,2,4,5-Tetrakis-(4-formylphenyl)benzene

  • Product code: SSC-198993
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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: 1g
  • Available purity: ＞97%
  • 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 883835-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

883835-33-4 / 4-[2,4,5-tris(4-formylphenyl)phenyl]benzaldehyde

Standard CAS: 883835-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883835-33-4
Multi CAS
No
Molecular Formula
C34H22O4
Molecular Weight
494.500000
Exact Mass
494.151809
InChI
InChI=1S/C34H22O4/c35-19-23-1-9-27(10-2-23)31-17-33(29-13-5-25(21-37)6-14-29)34(30-15-7-26(22-38)8-16-30)18-32(31)28-11-3-24(20-36)4-12-28/h1-22H
InChIKey
KYERQSUZHFINIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
30
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
149.74
TPSA
68.28

LogP / Solubility

WLOGP
7.6
MLOGP
6.73
XLogP3
6.3
Consensus LogP
6.88
Log S (ESOL)
-7.75
Class (ESOL)
Insoluble
Log S (Ali)
-9.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.15
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)
-0.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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