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CAS 1823952-84-6 1H-Imidazole-2-carboxamide, 5-bromo- molecular structure lightbox
CAS RN: 1823952-84-6

1H-Imidazole-2-carboxamide, 5-bromo-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250910 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1823952-84-6
  • Purity/Analytical Methods: >99.0%
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1823952-84-6 / 5-bromo-1H-imidazole-2-carboxamide

Standard CAS: 1823952-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823952-84-6
Multi CAS
No
Molecular Formula
C4H4BrN3O
Molecular Weight
190.000000
Exact Mass
188.953770
SMILES
C1=C(NC(=N1)C(=O)N)Br
InChI
InChI=1S/C4H4BrN3O/c5-2-1-7-4(8-2)3(6)9/h1H,(H2,6,9)(H,7,8)
InChIKey
CWUROIGURLVKRG-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
34.81
TPSA
71.77

LogP / Solubility

WLOGP
0.27
MLOGP
0.24
XLogP3
0.3
Consensus LogP
0.27
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.69

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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