CAS RN: 1079311-38-8
1,1-bis(pyridin-4-ylmethyl)-2,2-bisimidazole
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.20250804 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1079311-38-8
- Purity/Analytical Methods: >99.0%
1079311-38-8 / 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
1,1'-Bis(pyridin-4-ylmethyl)-1H,1'h-2,2'-biimidazole | CS-0170541 | G72233
Basic Information
CAS
1079311-38-8
Multi CAS
No
Molecular Formula
C18H16N6
Molecular Weight
316.400000
Exact Mass
316.143645
SMILES
C1=CN=CC=C1CN2C=CN=C2C3=NC=CN3CC4=CC=NC=C4
InChI
InChI=1S/C18H16N6/c1-5-19-6-2-15(1)13-23-11-9-21-17(23)18-22-10-12-24(18)14-16-3-7-20-8-4-16/h1-12H,13-14H2
InChIKey
QNQWYFDWEZWEDO-UHFFFAOYSA-N
Synonyms
1,1'-Bis(pyridin-4-ylmethyl)-1H,1'h-2,2'-biimidazole
CS-0170541
G72233
1,1'-bis(pyridin-4-ylmethyl)-2,2'-biimidazole
TW-4py-der 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
22
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
90.13
TPSA
61.42
LogP / Solubility
WLOGP
2.63
MLOGP
2.33
XLogP3
0.9
Consensus LogP
1.95
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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