CAS RN: 105806-11-9
5-Bromo-6-chloro-2-methylpyrimidin-4-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250924 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS105806-11-9
- Purity/Analytical Methods: >99.0%
105806-11-9 / 5-bromo-4-chloro-2-methyl-1H-pyrimidin-6-one
Basic Information
CAS
105806-11-9
Multi CAS
Yes
Molecular Formula
C5H4BrClN2O
Molecular Weight
223.450000
Exact Mass
221.919550
SMILES
CC1=NC(=C(C(=O)N1)Br)Cl
InChI
InChI=1S/C5H4BrClN2O/c1-2-8-4(7)3(6)5(10)9-2/h1H3,(H,8,9,10)
InChIKey
DKYJKLCIGBWGMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.3
TPSA
45.75
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3.02
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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