CAS RN: 16768-43-7
2,4-DICHLORO-5-(CHLOROMETHYL)-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.20260301 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS16768-43-7
- Purity/Analytical Methods: >99.0%
16768-43-7 / 2,4-dichloro-5-(chloromethyl)-6-methylpyrimidine
Basic Information
CAS
16768-43-7
Multi CAS
No
Molecular Formula
C6H5Cl3N2
Molecular Weight
211.500000
Exact Mass
209.951831
SMILES
CC1=C(C(=NC(=N1)Cl)Cl)CCl
InChI
InChI=1S/C6H5Cl3N2/c1-3-4(2-7)5(8)11-6(9)10-3/h2H2,1H3
InChIKey
XPHHRYQLVDQYDR-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
46.35
TPSA
25.78
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.9
Consensus LogP
2.74
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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
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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