CAS RN: 54128-01-7
4-Chloro-5-ethylpyrimidine
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.20250427 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54128-01-7
- Purity/Analytical Methods: >99.0%
54128-01-7 / 4-chloro-5-ethylpyrimidine
Basic Information
CAS
54128-01-7
Multi CAS
No
Molecular Formula
C6H7CLN2
Molecular Weight
142.580000
Exact Mass
142.029776
InChI
InChI=1S/C6H7ClN2/c1-2-5-3-8-4-9-6(5)7/h3-4H,2H2,1H3
InChIKey
ZZMJUBGNHBJUAM-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
36.42
TPSA
25.78
LogP / Solubility
WLOGP
1.69
MLOGP
1.48
XLogP3
2
Consensus LogP
1.72
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-2.39
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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