CAS RN: 197442-25-4
1,10-Phenanthroline, 2-(4-bromophenyl)-9-phenyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250208 | 50mg / 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS197442-25-4
- Purity/Analytical Methods: >99.0%
197442-25-4 / 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline
Basic Information
CAS
197442-25-4
Multi CAS
No
Molecular Formula
C24H15BrN2
Molecular Weight
411.300000
Exact Mass
410.041860
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=C(C=C5)Br)C=C2
InChI
InChI=1S/C24H15BrN2/c25-20-12-8-17(9-13-20)22-15-11-19-7-6-18-10-14-21(16-4-2-1-3-5-16)26-23(18)24(19)27-22/h1-15H
InChIKey
FOJZTDYXDWHDGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
26
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
115.62
TPSA
25.78
LogP / Solubility
WLOGP
6.88
MLOGP
6.08
XLogP3
6.5
Consensus LogP
6.49
Log S (ESOL)
-7.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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