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CAS 85390-98-3 5’-Phenyl-[1,1’:3’,1’’-terphenyl]-2’-carbaldehyde molecular structure lightbox
CAS RN: 85390-98-3

5’-Phenyl-[1,1’:3’,1’’-terphenyl]-2’-carbaldehyde

  • Product code: SSC-193740
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 85390-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

85390-98-3 / 2,4,6-triphenylbenzaldehyde

Standard CAS: 85390-98-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85390-98-3
Multi CAS
No
Molecular Formula
C25H18O
Molecular Weight
334.400000
Exact Mass
334.135765
InChI
InChI=1S/C25H18O/c26-18-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-18H
InChIKey
IQCJKKFSTPHNEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
108.14
TPSA
17.07

LogP / Solubility

WLOGP
6.5
MLOGP
5.74
XLogP3
6.3
Consensus LogP
6.18
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
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
No
Log Kp (skin permeation)
-0.14

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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