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CAS 89642-21-7 2-Iodo-4-nitrobenzyl Bromide molecular structure lightbox
CAS RN: 89642-21-7

2-Iodo-4-nitrobenzyl Bromide

  • Product code: SSC-201682
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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, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 89642-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

89642-21-7 / 1-(bromomethyl)-2-iodo-4-nitrobenzene

Standard CAS: 89642-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89642-21-7
Multi CAS
Yes
Molecular Formula
C7H5BRINO2
Molecular Weight
341.930000
Exact Mass
340.854840
InChI
InChI=1S/C7H5BrINO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2
InChIKey
CSGDIBWHUNXCJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.44
TPSA
43.14

LogP / Solubility

WLOGP
3.09
MLOGP
2.74
XLogP3
3
Consensus LogP
2.94
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

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

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