![CAS 1393711-96-0 4′-(pyridin-4-yl) -[1,1′-biphenyl]-4-carboxylic acid -[1,1′-biphenyl]-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1393711-96-0.png)
CAS RN: 1393711-96-0
4′-(pyridin-4-yl) -[1,1′-biphenyl]-4-carboxylic acid -[1,1′-biphenyl]-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250724 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250828 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
| Batchno.20251110 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250620 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260216 | 5g | In stock | Shanghai | Inquiry |
- Product code: LINP887559
1393711-96-0 / 4-(4-pyridin-4-ylphenyl)benzoic acid
Basic Information
CAS
1393711-96-0
Multi CAS
No
Molecular Formula
C18H13NO2
Molecular Weight
275.300000
Exact Mass
275.094629
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC=NC=C3
InChI
InChI=1S/C18H13NO2/c20-18(21)17-7-5-14(6-8-17)13-1-3-15(4-2-13)16-9-11-19-12-10-16/h1-12H,(H,20,21)
InChIKey
GLBNFSQIBPLMFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
82.07
TPSA
50.19
LogP / Solubility
WLOGP
4.11
MLOGP
3.63
XLogP3
3.6
Consensus LogP
3.78
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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