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CAS 2170451-48-4 4,4′,4”,4”’-(ethene-1,1,2,2-tetrayl)tetrabenzaldehyde molecular structure lightbox
CAS RN: 2170451-48-4

4,4′,4”,4”’-(ethene-1,1,2,2-tetrayl)tetrabenzaldehyde

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9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 100mg In stock Inquiry
Batchno.20260510 1g Out of stock Inquiry
Batchno.20250922 250mg In stock Inquiry
Batchno.20251112 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260305 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251110 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260601 25g In stock Shanghai Inquiry
Batchno.20260404 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: LINE887184
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2170451-48-4 / 4-[1,2,2-tris(4-formylphenyl)ethenyl]benzaldehyde

Standard CAS: 2170451-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2170451-48-4
Multi CAS
No
Molecular Formula
C30H20O4
Molecular Weight
444.500000
Exact Mass
444.136159
SMILES
C1=CC(=CC=C1C=O)C(=C(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C30H20O4/c31-17-21-1-9-25(10-2-21)29(26-11-3-22(18-32)4-12-26)30(27-13-5-23(19-33)6-14-27)28-15-7-24(20-34)8-16-28/h1-20H
InChIKey
UKOWOFJKLANHAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
132.34
TPSA
68.28

LogP / Solubility

WLOGP
5.94
MLOGP
5.26
XLogP3
5.8
Consensus LogP
5.67
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.44
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)
-1.21

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
3

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