CAS RN: 1707-68-2
2,2′-Bis(2-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,1′-biimidazole
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock3 grade groups
- Product code: SSC-075147
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 500g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1707-68-2 / 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazole
Basic Information
CAS
1707-68-2
Multi CAS
No
Molecular Formula
C42H28Cl2N4
Molecular Weight
659.600000
Exact Mass
658.169102
SMILES
C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=CC=C3Cl)N4C(=C(N=C4C5=CC=CC=C5Cl)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-37(29-17-5-1-6-18-29)39(31-21-9-3-10-22-31)47(41)48-40(32-23-11-4-12-24-32)38(30-19-7-2-8-20-30)46-42(48)34-26-14-16-28-36(34)44/h1-28H
InChIKey
VOKXCKZXSBBOPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
46
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
197.89
TPSA
35.64
LogP / Solubility
WLOGP
11.7
MLOGP
10.35
XLogP3
11.4
Consensus LogP
11.15
Log S (ESOL)
-11.55
Class (ESOL)
Insoluble
Log S (Ali)
-13.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.5
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)
1.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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