CAS RN: 26863-54-7
4,6-DICHLORO-2-(2-METHYLPHENYL)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.20251218 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26863-54-7
- Purity/Analytical Methods: >99.0%
26863-54-7 / 4,6-dichloro-2-(2-methylphenyl)pyrimidine
Basic Information
CAS
26863-54-7
Multi CAS
No
Molecular Formula
C11H8Cl2N2
Molecular Weight
239.100000
Exact Mass
238.006454
SMILES
CC1=CC=CC=C1C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C11H8Cl2N2/c1-7-4-2-3-5-8(7)11-14-9(12)6-10(13)15-11/h2-6H,1H3
InChIKey
GDJGWGCBZULKBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.23
TPSA
25.78
LogP / Solubility
WLOGP
3.76
MLOGP
3.31
XLogP3
4.1
Consensus LogP
3.72
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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