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CAS 1712-82-9 Peroxide, bis(4-bromobenzoyl) molecular structure lightbox
CAS RN: 1712-82-9

Peroxide, bis(4-bromobenzoyl)

  • Product code: SSC-075424
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1712-82-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry

1712-82-9 / (4-bromobenzoyl) 4-bromobenzenecarboperoxoate

Standard CAS: 1712-82-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1712-82-9
Multi CAS
No
Molecular Formula
C14H8Br2O4
Molecular Weight
400.020000
Exact Mass
399.876880
SMILES
C1=CC(=CC=C1C(=O)OOC(=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C14H8Br2O4/c15-11-5-1-9(2-6-11)13(17)19-20-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
NDLGGYYBMQTCLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
79.12
TPSA
52.6

LogP / Solubility

WLOGP
4.14
MLOGP
3.67
XLogP3
4.9
Consensus LogP
4.24
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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