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CAS 21711-56-8 4,4”-Dichloro-1,1′:2′,1”-terphenyl molecular structure lightbox
CAS RN: 21711-56-8

4,4”-Dichloro-1,1′:2′,1”-terphenyl

  • Product code: SSC-104573
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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: 1g, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 21711-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

21711-56-8 / 1,2-bis(4-chlorophenyl)benzene

Standard CAS: 21711-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21711-56-8
Multi CAS
No
Molecular Formula
C18H12Cl2
Molecular Weight
299.200000
Exact Mass
298.031606
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H12Cl2/c19-15-9-5-13(6-10-15)17-3-1-2-4-18(17)14-7-11-16(20)12-8-14/h1-12H
InChIKey
UXVXTMJMDUELPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
Molar refractivity
87.33
TPSA
0.0000

LogP / Solubility

WLOGP
6.33
MLOGP
5.58
XLogP3
6.9
Consensus LogP
6.27
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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