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CAS 18648-66-3 2-(4-Bromophenyl)-1,1-diphenylethylene molecular structure lightbox
CAS RN: 18648-66-3

2-(4-Bromophenyl)-1,1-diphenylethylene

  • Product code: SSC-086590
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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, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >97%
  • 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 18648-66-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

18648-66-3 / 1-bromo-4-(2,2-diphenylethenyl)benzene

Standard CAS: 18648-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18648-66-3
Multi CAS
No
Molecular Formula
C20H15Br
Molecular Weight
335.200000
Exact Mass
334.035710
SMILES
C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C20H15Br/c21-19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
InChIKey
HUCFDUOIMSRYAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
Molar refractivity
94
TPSA
0.0000

LogP / Solubility

WLOGP
6.04
MLOGP
5.33
XLogP3
6.8
Consensus LogP
6.06
Log S (ESOL)
-6.16
Class (ESOL)
Insoluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
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)
-0.48

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
2.5

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