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CAS 19057-50-2 1,2,3,4,5,6-Hexakis(4-bromophenyl)benzene molecular structure lightbox
CAS RN: 19057-50-2

1,2,3,4,5,6-Hexakis(4-bromophenyl)benzene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 100mg In stock Shanghai Inquiry
Batchno.20250406 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250430 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250812 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-089204
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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: 1g
  • Available purity: ≥95%
  • 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 19057-50-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

19057-50-2 / 1,2,3,4,5,6-hexakis(4-bromophenyl)benzene

Standard CAS: 19057-50-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19057-50-2
Multi CAS
No
Molecular Formula
C42H24Br6
Molecular Weight
1008.100000
Exact Mass
1007.691680
SMILES
C1=CC(=CC=C1C2=C(C(=C(C(=C2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)C6=CC=C(C=C6)Br)C7=CC=C(C=C7)Br)Br
InChI
InChI=1S/C42H24Br6/c43-31-13-1-25(2-14-31)37-38(26-3-15-32(44)16-4-26)40(28-7-19-34(46)20-8-28)42(30-11-23-36(48)24-12-30)41(29-9-21-35(47)22-10-29)39(37)27-5-17-33(45)18-6-27/h1-24H
InChIKey
KUSYGQSHKDPKRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
42
Rotatable bonds
6
Molar refractivity
225.26
TPSA
0.0000

LogP / Solubility

WLOGP
16.26
MLOGP
14.41
XLogP3
15.8
Consensus LogP
15.49
Log S (ESOL)
-16.59
Class (ESOL)
Insoluble
Log S (Ali)
-19.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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