CAS RN: 1197-28-0
4,6-DICHLORO-2-PROPYL-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.20260125 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1197-28-0
- Purity/Analytical Methods: >99.0%
1197-28-0 / 4,6-dichloro-2-propylpyrimidine
4,6-dichloro-2-propylpyrimidine | Pyrimidine, 4,6-dichloro-2-propyl- | 4,6-DICHLORO-2-PROPYL-PYRIMIDINE
Basic Information
CAS
1197-28-0
Multi CAS
No
Molecular Formula
C7H8Cl2N2
Molecular Weight
191.050000
Exact Mass
190.006454
SMILES
CCCC1=NC(=CC(=N1)Cl)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-2-3-7-10-5(8)4-6(9)11-7/h4H,2-3H2,1H3
InChIKey
AYIVVSYNNZZADH-UHFFFAOYSA-N
Synonyms
4,6-dichloro-2-propylpyrimidine
Pyrimidine, 4,6-dichloro-2-propyl-
4,6-DICHLORO-2-PROPYL-PYRIMIDINE
SCHEMBL1318031
DTXSID30597317
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.05
TPSA
25.78
LogP / Solubility
WLOGP
2.74
MLOGP
2.41
XLogP3
3.3
Consensus LogP
2.82
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-1.94
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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