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CAS 5732-17-2 5′-Phenyl-[1,1′:3′,1”-terphenyl]-2′-carboxylic acid molecular structure lightbox
CAS RN: 5732-17-2

5′-Phenyl-[1,1′:3′,1”-terphenyl]-2′-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250330 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINP914255
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5732-17-2 / 2,4,6-triphenylbenzoic acid

Standard CAS: 5732-17-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5732-17-2
Multi CAS
Yes
Molecular Formula
C25H18O2
Molecular Weight
350.400000
Exact Mass
350.130680
InChI
InChI=1S/C25H18O2/c26-25(27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H,(H,26,27)
InChIKey
YYWWGHQMONYPEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
109.71
TPSA
37.3

LogP / Solubility

WLOGP
6.39
MLOGP
5.64
XLogP3
6.3
Consensus LogP
6.11
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
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)
-0.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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