CAS RN: 214290-49-0
5-BROMO-2-HYDROXYPYRIMIDINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260303 | 5g / 10g / 25g / 100g / 500g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS214290-49-0
- Purity/Analytical Methods: >99.0%
214290-49-0 / 5-bromo-1H-pyrimidin-2-one
Basic Information
CAS
214290-49-0
Multi CAS
No
Molecular Formula
C4H3BrN2O
Molecular Weight
174.980000
Exact Mass
173.942880
SMILES
C1=C(C=NC(=O)N1)Br
InChI
InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChIKey
VTUDATOSQGYWML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.56
TPSA
45.75
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.2
Consensus LogP
0.4
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.38
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)
-3.41
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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