CAS RN: 148332-32-5
2,2′:6′,2”-Terpyridine-4′-methanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250504 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: LINT888137
148332-32-5 / (2,6-dipyridin-2-yl-4-pyridinyl)methanol
Basic Information
CAS
148332-32-5
Multi CAS
No
Molecular Formula
C16H13N3O
Molecular Weight
263.290000
Exact Mass
263.105862
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)CO
InChI
InChI=1S/C16H13N3O/c20-11-12-9-15(13-5-1-3-7-17-13)19-16(10-12)14-6-2-4-8-18-14/h1-10,20H,11H2
InChIKey
XOZXVXJRRVSLPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.62
TPSA
58.9
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
1.5
Consensus LogP
2.19
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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