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CAS 474974-24-8 [[1,1′:4′,1”-TERPHENYL]-4,4”-DICARBOXALDEHYDE, 2′,5′-BIS(HEXYLOXY)-] molecular structure lightbox
CAS RN: 474974-24-8

[[1,1′:4′,1”-TERPHENYL]-4,4”-DICARBOXALDEHYDE, 2′,5′-BIS(HEXYLOXY)-]

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260104 100mg Out of stock Inquiry
Batchno.20250302 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260111 1g Out of stock Inquiry
Batchno.20250226 250mg In stock Wuhan Inquiry
  • Product code: starshine_CAS474974-24-8
  • Purity/Analytical Methods: >99.0%
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474974-24-8 / 4-[4-(4-formylphenyl)-2,5-dihexoxyphenyl]benzaldehyde

Standard CAS: 474974-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
474974-24-8
Multi CAS
No
Molecular Formula
C32H38O4
Molecular Weight
486.600000
Exact Mass
486.277010
InChI
InChI=1S/C32H38O4/c1-3-5-7-9-19-35-31-21-30(28-17-13-26(24-34)14-18-28)32(36-20-10-8-6-4-2)22-29(31)27-15-11-25(23-33)12-16-27/h11-18,21-24H,3-10,19-20H2,1-2H3
InChIKey
ZEAMUCDDXSYBBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
147.36
TPSA
52.6

LogP / Solubility

WLOGP
8.56
MLOGP
7.57
XLogP3
8.7
Consensus LogP
8.28
Log S (ESOL)
-7.57
Class (ESOL)
Insoluble
Log S (Ali)
-9.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.85
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)
0.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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