![CAS 721969-94-4 2,2′-(1,3-Phenylene)bis[9-phenyl-1,10-phenanthroline] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/721969-94-4.gif)
CAS RN: 721969-94-4
2,2′-(1,3-Phenylene)bis[9-phenyl-1,10-phenanthroline]
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.20250811 | 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-181749
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
721969-94-4 / 2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
Basic Information
CAS
721969-94-4
Multi CAS
No
Molecular Formula
C42H26N4
Molecular Weight
586.700000
Exact Mass
586.215747
InChI
InChI=1S/C42H26N4/c1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38/h1-26H
InChIKey
GYUPAYHPAZQUMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
46
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
189.39
TPSA
51.56
LogP / Solubility
WLOGP
10.55
MLOGP
9.33
XLogP3
9.6
Consensus LogP
9.83
Log S (ESOL)
-10.6
Class (ESOL)
Insoluble
Log S (Ali)
-11.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.71
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)
1.19
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
7
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