CAS RN: 61233-53-2
2-Chloro-4-ethyl-6-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.20260515 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61233-53-2
- Purity/Analytical Methods: >99.0%
61233-53-2 / 2-chloro-4-ethyl-6-methylpyrimidine
Basic Information
CAS
61233-53-2
Multi CAS
No
Molecular Formula
C7H9CLN2
Molecular Weight
156.610000
Exact Mass
156.045426
InChI
InChI=1S/C7H9ClN2/c1-3-6-4-5(2)9-7(8)10-6/h4H,3H2,1-2H3
InChIKey
QBZNYNDSHAHUFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.16
TPSA
25.78
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
2.4
Consensus LogP
2.05
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.25
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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