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CAS 750556-81-1 Ethanone, 2-bromo-1-(1-methyl-1H-imidazol-2-yl)- (9CI) molecular structure lightbox
CAS RN: 750556-81-1

Ethanone, 2-bromo-1-(1-methyl-1H-imidazol-2-yl)- (9CI)

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250418 100mg In stock Shanghai Inquiry
Batchno.20250227 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260612 1g In stock Shanghai Inquiry
Batchno.20250512 250mg In stock Shanghai Inquiry
Batchno.20260506 50mg In stock Shanghai Inquiry
Batchno.20250531 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS750556-81-1
  • Purity/Analytical Methods: >99.0%
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750556-81-1 / 2-bromo-1-(1-methylimidazol-2-yl)ethanone

Standard CAS: 750556-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
750556-81-1
Multi CAS
No
Molecular Formula
BC6H7ORn2
Molecular Weight
203.040000
Exact Mass
201.974180
InChI
InChI=1S/C6H7BrN2O/c1-9-3-2-8-6(9)5(10)4-7/h2-3H,4H2,1H3
InChIKey
ONYYYUJTGNBSSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.33
TPSA
34.89

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.89
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-3.25

Drug-likeness / Medicinal Chemistry

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

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