CAS RN: 1622839-53-5
1,2-DI(PYRIMIDIN-4-YL)BENZENE
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.20251027 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND889935
1622839-53-5 / 4-(2-pyrimidin-4-ylphenyl)pyrimidine
Basic Information
CAS
1622839-53-5
Multi CAS
No
Molecular Formula
C14H10N4
Molecular Weight
234.260000
Exact Mass
234.090546
SMILES
C1=CC=C(C(=C1)C2=NC=NC=C2)C3=NC=NC=C3
InChI
InChI=1S/C14H10N4/c1-2-4-12(14-6-8-16-10-18-14)11(3-1)13-5-7-15-9-17-13/h1-10H
InChIKey
XXYPUWJXTIXOIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.49
TPSA
51.56
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
1.8
Consensus LogP
2.23
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
