CAS RN: 1385826-81-2
4-(biphenyl-4-yl)-2,6-dichloropyrimidine
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.20250304 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1385826-81-2
- Purity/Analytical Methods: >99.0%
1385826-81-2 / 2,4-dichloro-6-(4-phenylphenyl)pyrimidine
Basic Information
CAS
1385826-81-2
Multi CAS
No
Molecular Formula
C16H10Cl2N2
Molecular Weight
301.200000
Exact Mass
300.022104
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2/c17-15-10-14(19-16(18)20-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H
InChIKey
KTLYHIYQPLADGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
82.92
TPSA
25.78
LogP / Solubility
WLOGP
5.12
MLOGP
4.52
XLogP3
5.4
Consensus LogP
5.01
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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