![CAS 1386857-85-7 1,1′-(5′-(4-(1H-imidazol-1-yl)phenyl)-[1,1′:3′,1”-terphenyl]-4,4”-diyl)bis(1H-imidazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1386857-85-7.png)
CAS RN: 1386857-85-7
1,1′-(5′-(4-(1H-imidazol-1-yl)phenyl)-[1,1′:3′,1”-terphenyl]-4,4”-diyl)bis(1H-imidazole)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260221 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: LINH887242
1386857-85-7 / 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
Basic Information
CAS
1386857-85-7
Multi CAS
No
Molecular Formula
C33H24N6
Molecular Weight
504.600000
Exact Mass
504.206245
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)N4C=CN=C4)C5=CC=C(C=C5)N6C=CN=C6)N7C=CN=C7
InChI
InChI=1S/C33H24N6/c1-7-31(37-16-13-34-22-37)8-2-25(1)28-19-29(26-3-9-32(10-4-26)38-17-14-35-23-38)21-30(20-28)27-5-11-33(12-6-27)39-18-15-36-24-39/h1-24H
InChIKey
SKSQXMCTBMPKSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
39
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
154.12
TPSA
53.46
LogP / Solubility
WLOGP
7.24
MLOGP
6.41
XLogP3
6
Consensus LogP
6.55
Log S (ESOL)
-7.88
Class (ESOL)
Insoluble
Log S (Ali)
-8.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.65
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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