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
Customers Also Viewed
-
-
N-(6-amino-5-(2-chloro-5-methoxyphenyl)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxamide(WX150095)
- CAS RN: 1079400-07-9
- Product Code: SSC-009242
-
5-Methoxy-2-(trifluoromethoxy)phenylboronic acid
- CAS RN: 1079402-25-7
- Product Code: SSC-009243
-
![CAS 1079649-94-7 2,4-Dichloro-6-isopropyl-5,6-dihydropyrrolo[3,4-d]pyriMidin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1079649-94-7.gif)
2,4-Dichloro-6-isopropyl-5,6-dihydropyrrolo[3,4-d]pyriMidin-7-one
- CAS RN: 1079649-94-7
- Product Code: SSC-009253
-
(R)-1-(3,4-DiMethylphenyl)ethanaMine hydrochloride
- CAS RN: 1079650-53-5
- Product Code: starshine_CAS1079650-53-5
- Purity/Analytical method: >99.0%
-
7-Chloro-3-(chloromethyl)isoquinoline
- CAS RN: 1079652-68-8
- Product Code: starshine_CAS1079652-68-8
- Purity/Analytical method: >99.0%