![CAS 2022152-71-0 4′-(pyridin-4-yl)-[1,1′-biphenyl]-3,5-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2022152-71-0.png)
CAS RN: 2022152-71-0
4′-(pyridin-4-yl)-[1,1′-biphenyl]-3,5-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250709 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251108 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20260427 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250913 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250610 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2022152-71-0
- Purity/Analytical Methods: >99.0%
2022152-71-0 / 5-(4-pyridin-4-ylphenyl)benzene-1,3-dicarboxylic acid
Basic Information
CAS
2022152-71-0
Multi CAS
No
Molecular Formula
C19H13NO4
Molecular Weight
319.300000
Exact Mass
319.084458
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)C3=CC(=CC(=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C19H13NO4/c21-18(22)16-9-15(10-17(11-16)19(23)24)13-3-1-12(2-4-13)14-5-7-20-8-6-14/h1-11H,(H,21,22)(H,23,24)
InChIKey
ZCPSJVXVYUXFHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
89.03
TPSA
87.49
LogP / Solubility
WLOGP
3.81
MLOGP
3.37
XLogP3
3.2
Consensus LogP
3.46
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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)
-1.96
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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