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CAS 74840-99-6 Ethyl 4,5-dibromo-1H-imidazole-2-carboxylate molecular structure lightbox
CAS RN: 74840-99-6

Ethyl 4,5-dibromo-1H-imidazole-2-carboxylate

  • Product code: SSC-184296
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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
  • 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 74840-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry

74840-99-6 / ethyl 4,5-dibromo-1H-imidazole-2-carboxylate

Standard CAS: 74840-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74840-99-6
Multi CAS
No
Molecular Formula
C6H6BR2N2O2
Molecular Weight
297.930000
Exact Mass
297.877550
InChI
InChI=1S/C6H6Br2N2O2/c1-2-12-6(11)5-9-3(7)4(8)10-5/h2H2,1H3,(H,9,10)
InChIKey
RAKBRBUOFBTKPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.94
TPSA
54.98

LogP / Solubility

WLOGP
2.11
MLOGP
1.87
XLogP3
2.7
Consensus LogP
2.23
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-3.04

Drug-likeness / Medicinal Chemistry

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

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