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CAS 1607-57-4 2-Bromo-1,1,2-triphenylethylene molecular structure lightbox
CAS RN: 1607-57-4

2-Bromo-1,1,2-triphenylethylene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250925 100g In stock Inquiry
Batchno.20251023 25g In stock Inquiry
Batchno.20250201 5g In stock Inquiry
  • Product code: SSC-068513
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1607-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

1607-57-4 / (1-bromo-2,2-diphenylethenyl)benzene

Standard CAS: 1607-57-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1607-57-4
Multi CAS
No
Molecular Formula
C20H15Br
Molecular Weight
335.200000
Exact Mass
334.035710
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKey
VUQVJIUBUPPCDB-UHFFFAOYSA-N

Physical Properties

Physical Description
Pale yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
Molar refractivity
94.17
TPSA
0.0000

LogP / Solubility

WLOGP
6
MLOGP
5.29
XLogP3
6.6
Consensus LogP
5.96
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
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)
-0.51

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (80%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H361f (20%): Suspected of damaging fertility [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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