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CAS 50743-02-7 5-bromo-1H-Imidazole-4-carboxylic acid molecular structure lightbox
CAS RN: 50743-02-7

5-bromo-1H-Imidazole-4-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250310 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-157461
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 50743-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

50743-02-7 / 5-bromo-1H-imidazole-4-carboxylic acid

Standard CAS: 50743-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50743-02-7
Multi CAS
No
Molecular Formula
BC4H3O2Rn2
Molecular Weight
190.980000
Exact Mass
189.937790
InChI
InChI=1S/C4H3BrN2O2/c5-3-2(4(8)9)6-1-7-3/h1H,(H,6,7)(H,8,9)
InChIKey
ZXRQVGDOHXOSPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.25
TPSA
65.98

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.9
Consensus LogP
0.84
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.27

Drug-likeness / Medicinal Chemistry

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

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