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CAS 57559-52-1 4-Methoxy-2-nitrobenzyl bromide molecular structure lightbox
CAS RN: 57559-52-1

4-Methoxy-2-nitrobenzyl bromide

  • Product code: SSC-165740
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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
  • 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 57559-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Hong Kong Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
1g ≥97% 1 In Stock Shenzhen Inquiry

57559-52-1 / 1-(bromomethyl)-4-methoxy-2-nitrobenzene

Standard CAS: 57559-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57559-52-1
Multi CAS
No
Molecular Formula
BC8H8O3Rn
Molecular Weight
246.060000
Exact Mass
244.968760
InChI
InChI=1S/C8H8BrNO3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,5H2,1H3
InChIKey
WZFGFNGYZZHELE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
52.28
TPSA
52.37

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.3
Consensus LogP
2.33
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

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

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