CAS RN: 137234-85-6
2,4-DICHLORO-6-ETHYL-5-FLUOROPYRIMIDINE
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.20250316 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS137234-85-6
- Purity/Analytical Methods: >99.0%
137234-85-6 / 2,4-dichloro-6-ethyl-5-fluoropyrimidine
Basic Information
CAS
137234-85-6
Multi CAS
No
Molecular Formula
C6H5Cl2FN2
Molecular Weight
195.020000
Exact Mass
193.981382
SMILES
CCC1=C(C(=NC(=N1)Cl)Cl)F
InChI
InChI=1S/C6H5Cl2FN2/c1-2-3-4(9)5(7)11-6(8)10-3/h2H2,1H3
InChIKey
VOLSXIRVBOETBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.39
TPSA
25.78
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
3.1
Consensus LogP
2.59
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.15
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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