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CAS 3073-05-0 p-Quinquephenyl molecular structure lightbox
CAS RN: 3073-05-0

p-Quinquephenyl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTQ0018
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3073-05-0 / 1,4-bis(4-phenylphenyl)benzene

Standard CAS: 3073-05-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3073-05-0
Multi CAS
Yes
Molecular Formula
C30H22
Molecular Weight
382.500000
Exact Mass
382.172151
InChI
InChI=1S/C30H22/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-30(22-20-29)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H
InChIKey
OMCUOJTVNIHQTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
30
Rotatable bonds
4
Molar refractivity
128.19
TPSA
0.0000

LogP / Solubility

WLOGP
8.35
MLOGP
7.37
XLogP3
8.9
Consensus LogP
8.21
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
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)
0.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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