CAS RN: 107063-53-6
2,4,6-Tris-(p-carboxyphenyl)pyrdin
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250318 | 100mg | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20250909 | 1g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20251220 | 250mg | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20250622 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS107063-53-6
- Purity/Analytical Methods: >99.0%
107063-53-6 / 4-[2,6-bis(4-carboxyphenyl)-4-pyridinyl]benzoic acid
4,4',4''-(Pyridine-2,4,6-triyl)tribenzoic acid | MFCD32856651 | 2,4,6-Tris-(p-carboxyphenyl)pyrdin
Basic Information
CAS
107063-53-6
Multi CAS
No
Molecular Formula
C26H17NO6
Molecular Weight
439.400000
Exact Mass
439.105587
SMILES
C1=CC(=CC=C1C2=CC(=NC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O
InChI
InChI=1S/C26H17NO6/c28-24(29)18-7-1-15(2-8-18)21-13-22(16-3-9-19(10-4-16)25(30)31)27-23(14-21)17-5-11-20(12-6-17)26(32)33/h1-14H,(H,28,29)(H,30,31)(H,32,33)
InChIKey
MRHFFQFIDCZIRI-UHFFFAOYSA-N
Synonyms
4,4',4''-(Pyridine-2,4,6-triyl)tribenzoic acid
MFCD32856651
2,4,6-Tris-(p-carboxyphenyl)pyrdin
4-[2,6-bis(4-carboxyphenyl)pyridin-4-yl]benzoic acid
YSZC1496
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
121.42
TPSA
124.79
LogP / Solubility
WLOGP
5.18
MLOGP
4.58
XLogP3
4.4
Consensus LogP
4.72
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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