![CAS 1256723-60-0 2-phenyl-1-(4-(10-(4-(2-phenyl-3a,7a-dihydro-1H-benzo[d]imidazol-1-yl)phenyl)anthracen-9-yl)phenyl)-1H-benzo[d]imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256723-60-0.gif)
CAS RN: 1256723-60-0
2-phenyl-1-(4-(10-(4-(2-phenyl-3a,7a-dihydro-1H-benzo[d]imidazol-1-yl)phenyl)anthracen-9-yl)phenyl)-1H-benzo[d]imidazole
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.20251002 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1256723-60-0
- Purity/Analytical Methods: >99.0%
1256723-60-0 / 2-phenyl-1-[4-[10-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole
Basic Information
CAS
1256723-60-0
Multi CAS
No
Molecular Formula
C52H36N4
Molecular Weight
716.900000
Exact Mass
716.293997
SMILES
C1=CC=C(C=C1)C2=NC3C=CC=CC3N2C4=CC=C(C=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC=C(C=C8)N9C1=CC=CC=C1N=C9C1=CC=CC=C1
InChI
InChI=1S/C52H36N4/c1-3-15-37(16-4-1)51-53-45-23-11-13-25-47(45)55(51)39-31-27-35(28-32-39)49-41-19-7-9-21-43(41)50(44-22-10-8-20-42(44)49)36-29-33-40(34-30-36)56-48-26-14-12-24-46(48)54-52(56)38-17-5-2-6-18-38/h1-34,45,47H
InChIKey
NYFBTQNUWADQMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
47
Fraction Csp3
0.04
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
233.7
TPSA
33.42
LogP / Solubility
WLOGP
12.46
MLOGP
11.03
XLogP3
12.5
Consensus LogP
12
Log S (ESOL)
-12.36
Class (ESOL)
Insoluble
Log S (Ali)
-14.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.38
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.76
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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