CAS RN: 883230-68-0
5-BROMO-2-(1H-IMIDAZOL-1-YL)PYRIMIDINE
Product Availability
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6 package records5 with current stock2 grade groups
- Product code: starshine_CAS883230-68-0
- Purity/Analytical Methods: >99.0%
883230-68-0 / 5-bromo-2-imidazol-1-ylpyrimidine
Basic Information
CAS
883230-68-0
Multi CAS
No
Molecular Formula
BC7H5Rn4
Molecular Weight
225.050000
Exact Mass
223.969760
InChI
InChI=1S/C7H5BrN4/c8-6-3-10-7(11-4-6)12-2-1-9-5-12/h1-5H
InChIKey
SCDMEQDXMQROEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.85
TPSA
43.6
LogP / Solubility
WLOGP
1.42
MLOGP
1.26
XLogP3
1
Consensus LogP
1.23
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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