CAS RN: 1289131-96-9
5-Bromo-2-(2-methoxyethoxy)pyrimidine
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.20250601 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1289131-96-9
- Purity/Analytical Methods: >99.0%
1289131-96-9 / 5-bromo-2-(2-methoxyethoxy)pyrimidine
Basic Information
CAS
1289131-96-9
Multi CAS
No
Molecular Formula
C7H9BrN2O2
Molecular Weight
233.060000
Exact Mass
231.984740
SMILES
COCCOC1=NC=C(C=N1)Br
InChI
InChI=1S/C7H9BrN2O2/c1-11-2-3-12-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3
InChIKey
OTNCKNIATISMHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
47.1
TPSA
44.24
LogP / Solubility
WLOGP
1.26
MLOGP
1.12
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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