![CAS 16391-62-1 7,12-diphenylbenzo[k]fluoranthene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16391-62-1.gif)
CAS RN: 16391-62-1
7,12-diphenylbenzo[k]fluoranthene
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.20260107 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS16391-62-1
- Purity/Analytical Methods: >99.0%
16391-62-1 / 7,12-diphenylbenzo[k]fluoranthene
Basic Information
CAS
16391-62-1
Multi CAS
No
Molecular Formula
C32H20
Molecular Weight
404.500000
Exact Mass
404.156501
SMILES
C1=CC=C(C=C1)C2=C3C4=CC=CC5=C4C(=CC=C5)C3=C(C6=CC=CC=C62)C7=CC=CC=C7
InChI
InChI=1S/C32H20/c1-3-11-22(12-4-1)29-24-17-7-8-18-25(24)30(23-13-5-2-6-14-23)32-27-20-10-16-21-15-9-19-26(28(21)27)31(29)32/h1-20H
InChIKey
YONDEBNCTLTCRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
32
Rotatable bonds
2
Molar refractivity
136.76
TPSA
0.0000
LogP / Solubility
WLOGP
8.97
MLOGP
7.92
XLogP3
9
Consensus LogP
8.63
Log S (ESOL)
-8.61
Class (ESOL)
Insoluble
Log S (Ali)
-9.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.98
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)
1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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