CAS RN: 802559-38-2
5-(BroMoMethyl)-2-MethylpyriMidine
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.20250421 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS802559-38-2
- Purity/Analytical Methods: >99.0%
802559-38-2 / 5-(bromomethyl)-2-methylpyrimidine
Basic Information
CAS
802559-38-2
Multi CAS
Yes
Molecular Formula
BC6H7Rn2
Molecular Weight
187.040000
Exact Mass
185.979260
InChI
InChI=1S/C6H7BrN2/c1-5-8-3-6(2-7)4-9-5/h3-4H,2H2,1H3
InChIKey
RKNJOWSXQZGAMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.4
TPSA
25.78
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.2
Consensus LogP
1.45
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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