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CAS 933690-26-7 2-bromo-1H-imidazole-4-carbaldehyde molecular structure lightbox
CAS RN: 933690-26-7

2-bromo-1H-imidazole-4-carbaldehyde

  • Product code: SSC-207381
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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: 0.05g, 0.1g, 0.25g, 1g
  • 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 933690-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 5 In Stock Beijing Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shanghai Inquiry

933690-26-7 / 2-bromo-1H-imidazole-5-carbaldehyde

Standard CAS: 933690-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933690-26-7
Multi CAS
No
Molecular Formula
BC4H3ORn2
Molecular Weight
174.980000
Exact Mass
173.942880
InChI
InChI=1S/C4H3BrN2O/c5-4-6-1-3(2-8)7-4/h1-2H,(H,6,7)
InChIKey
LMGGMRMMQBQDOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.68
TPSA
45.75

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-3.09

Drug-likeness / Medicinal Chemistry

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

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