CAS RN: 56741-95-8
2-AMINO-5-BROMO-4-HYDROXY-6-PHENYLPYRIMIDINE
Product Availability
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4 package records1 with current stock1 grade group
- Product code: starshine_CAS56741-95-8
- Purity/Analytical Methods: >99.0%
56741-95-8 / 2-amino-5-bromo-4-phenyl-1H-pyrimidin-6-one
Basic Information
CAS
56741-95-8
Multi CAS
Yes
Molecular Formula
BC10H8ORn3
Molecular Weight
266.090000
Exact Mass
264.985070
InChI
InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKey
CIUUIPMOFZIWIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.41
TPSA
71.77
LogP / Solubility
WLOGP
1.78
MLOGP
1.58
XLogP3
1.2
Consensus LogP
1.52
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
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
Yes
Synthetic Accessibility
1.5
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