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CAS 59447-55-1 Pentabromobenzyl Acrylate molecular structure lightbox
CAS RN: 59447-55-1

Pentabromobenzyl Acrylate

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 1g In stock Shanghai Inquiry
Batchno.20250831 200mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-167891
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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 59447-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

59447-55-1 / (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate

Standard CAS: 59447-55-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
59447-55-1
Multi CAS
Yes
Molecular Formula
C10H5BR5O2
Molecular Weight
556.700000
Exact Mass
555.616540
InChI
InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2
InChIKey
GRKDVZMVHOLESV-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
84.94
TPSA
26.3

LogP / Solubility

WLOGP
5.73
MLOGP
5.08
XLogP3
5.7
Consensus LogP
5.5
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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