CAS RN: 279674-33-8
4′-(Biphenyl-4-yl)-2,2′:6′,2”-terpyridine
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.20250107 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS279674-33-8
- Purity/Analytical Methods: >99.0%
279674-33-8 / 4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine
Basic Information
CAS
279674-33-8
Multi CAS
No
Molecular Formula
C27H19N3
Molecular Weight
385.500000
Exact Mass
385.157898
InChI
InChI=1S/C27H19N3/c1-2-8-20(9-3-1)21-12-14-22(15-13-21)23-18-26(24-10-4-6-16-28-24)30-27(19-23)25-11-5-7-17-29-25/h1-19H
InChIKey
KASNEZRELMXILE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
121.57
TPSA
38.67
LogP / Solubility
WLOGP
6.54
MLOGP
5.78
XLogP3
5.4
Consensus LogP
5.91
Log S (ESOL)
-6.83
Class (ESOL)
Insoluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
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)
-0.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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