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CAS 25458-45-1 4-(Methoxymethoxy)bromobenzene molecular structure lightbox
CAS RN: 25458-45-1

4-(Methoxymethoxy)bromobenzene

  • Product code: SSC-121408
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 25458-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

25458-45-1 / 1-bromo-4-(methoxymethoxy)benzene

Standard CAS: 25458-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25458-45-1
Multi CAS
No
Molecular Formula
C8H9BrO2
Molecular Weight
217.060000
Exact Mass
215.978590
InChI
InChI=1S/C8H9BrO2/c1-10-6-11-8-4-2-7(9)3-5-8/h2-5H,6H2,1H3
InChIKey
BDRBSCRINVJXKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.65
TPSA
18.46

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.32

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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