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CAS 79326-91-3 4-broMo-1-Methyl-1H-iMidazole-2-carbaldehyde molecular structure lightbox
CAS RN: 79326-91-3

4-broMo-1-Methyl-1H-iMidazole-2-carbaldehyde

  • Product code: SSC-188522
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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: ≥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 79326-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

79326-91-3 / 4-bromo-1-methylimidazole-2-carbaldehyde

Standard CAS: 79326-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79326-91-3
Multi CAS
No
Molecular Formula
BC5H5ORn2
Molecular Weight
189.010000
Exact Mass
187.958530
InChI
InChI=1S/C5H5BrN2O/c1-8-2-4(6)7-5(8)3-9/h2-3H,1H3
InChIKey
AKEVNYPMPMIJPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.3
TPSA
34.89

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
0.8
Consensus LogP
0.89
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.17

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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