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CAS 1477527-27-7 1H-Imidazole, 1,1′,1”,1”’-(1,2-ethenediylidenetetra-4,1-phenylene)tetrakis- molecular structure lightbox
CAS RN: 1477527-27-7

1H-Imidazole, 1,1′,1”,1”’-(1,2-ethenediylidenetetra-4,1-phenylene)tetrakis-

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100g Out of stock Inquiry
Batchno.20260524 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260404 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250521 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260115 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250709 100mg / 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: LINH887478
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1477527-27-7 / 1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethenyl]phenyl]imidazole

Standard CAS: 1477527-27-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1477527-27-7
Multi CAS
No
Molecular Formula
C38H28N8
Molecular Weight
596.700000
Exact Mass
596.243693
SMILES
C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)N3C=CN=C3)C4=CC=C(C=C4)N5C=CN=C5)C6=CC=C(C=C6)N7C=CN=C7)N8C=CN=C8
InChI
InChI=1S/C38H28N8/c1-9-33(43-21-17-39-25-43)10-2-29(1)37(30-3-11-34(12-4-30)44-22-18-40-26-44)38(31-5-13-35(14-6-31)45-23-19-41-27-45)32-7-15-36(16-8-32)46-24-20-42-28-46/h1-28H
InChIKey
NAWGRFXRBZACML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
44
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
179.27
TPSA
71.28

LogP / Solubility

WLOGP
7.44
MLOGP
6.59
XLogP3
7
Consensus LogP
7.01
Log S (ESOL)
-8.4
Class (ESOL)
Insoluble
Log S (Ali)
-9.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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