CAS RN: 861024-61-5
4-(4-Biphenyl)pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260612 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
861024-61-5 / 4-(4-phenylphenyl)pyridine
4-(4-BIPHENYL)PYRIDINE | 4-(4-phenylphenyl)pyridine | 4-(Biphenyl-4-yl)pyridine
Basic Information
CAS
861024-61-5
Multi CAS
No
Molecular Formula
C17H13N
Molecular Weight
231.290000
Exact Mass
231.104799
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=NC=C3
InChI
InChI=1S/C17H13N/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)17-10-12-18-13-11-17/h1-13H
InChIKey
HJWMXGICVAFMLG-UHFFFAOYSA-N
Synonyms
4-(4-BIPHENYL)PYRIDINE
4-(4-phenylphenyl)pyridine
4-(Biphenyl-4-yl)pyridine
MFCD00657901
4-([1,1'-Biphenyl]-4-yl)pyridine
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
75.11
TPSA
12.89
LogP / Solubility
WLOGP
4.42
MLOGP
3.89
XLogP3
4.2
Consensus LogP
4.17
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
