CAS RN: 725274-03-3
Benzene-1,3,5-tricarboxylic acid tris-pyridin-4-ylamide
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250810 | 100mg / 500mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: LINB887539
725274-03-3 / 1-N,3-N,5-N-tripyridin-4-ylbenzene-1,3,5-tricarboxamide
Basic Information
CAS
725274-03-3
Multi CAS
No
Molecular Formula
C24H18N6O3
Molecular Weight
438.400000
Exact Mass
438.144038
InChI
InChI=1S/C24H18N6O3/c31-22(28-19-1-7-25-8-2-19)16-13-17(23(32)29-20-3-9-26-10-4-20)15-18(14-16)24(33)30-21-5-11-27-12-6-21/h1-15H,(H,25,28,31)(H,26,29,32)(H,27,30,33)
InChIKey
PFHCOOYBRXRFAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
123.01
TPSA
125.97
LogP / Solubility
WLOGP
3.63
MLOGP
3.22
XLogP3
1.2
Consensus LogP
2.68
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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