CAS RN: 2095240-92-7
M-2
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.20250612 | 1g / 5g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2095240-92-7
- Purity/Analytical Methods: >99.0%
2095240-92-7 / 4-[4-(3-chlorophenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
Basic Information
CAS
2095240-92-7
Multi CAS
No
Molecular Formula
C34H23ClN2
Molecular Weight
495.000000
Exact Mass
494.154976
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC(=CC=C6)Cl
InChI
InChI=1S/C34H23ClN2/c35-31-13-7-12-30(22-31)26-16-20-28(21-17-26)33-23-32(36-34(37-33)29-10-5-2-6-11-29)27-18-14-25(15-19-27)24-8-3-1-4-9-24/h1-23H
InChIKey
XHEGLOKSJNMTKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
36
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
154.22
TPSA
25.78
LogP / Solubility
WLOGP
9.46
MLOGP
8.36
XLogP3
9.1
Consensus LogP
8.97
Log S (ESOL)
-9.26
Class (ESOL)
Insoluble
Log S (Ali)
-10.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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