![CAS 1370206-12-4 4-[4,2′:6′,4”-terpyridin]-4′-yl-Benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1370206-12-4.png)
CAS RN: 1370206-12-4
4-[4,2′:6′,4”-terpyridin]-4′-yl-Benzoic acid
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260110 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB887189
1370206-12-4 / 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid
Basic Information
CAS
1370206-12-4
Multi CAS
No
Molecular Formula
C22H15N3O2
Molecular Weight
353.400000
Exact Mass
353.116427
SMILES
C1=CC(=CC=C1C2=CC(=NC(=C2)C3=CC=NC=C3)C4=CC=NC=C4)C(=O)O
InChI
InChI=1S/C22H15N3O2/c26-22(27)18-3-1-15(2-4-18)19-13-20(16-5-9-23-10-6-16)25-21(14-19)17-7-11-24-12-8-17/h1-14H,(H,26,27)
InChIKey
WLMLPFKCGMQBFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.09
TPSA
75.97
LogP / Solubility
WLOGP
4.57
MLOGP
4.04
XLogP3
3.2
Consensus LogP
3.94
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
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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