![CAS 187086-32-4 3-Bromo-7,12-diphenylbenzo[k]fluoranthene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187086-32-4.gif)
CAS RN: 187086-32-4
3-Bromo-7,12-diphenylbenzo[k]fluoranthene
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.20250403 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS187086-32-4
- Purity/Analytical Methods: >99.0%
187086-32-4 / 3-bromo-7,12-diphenylbenzo[k]fluoranthene
Basic Information
CAS
187086-32-4
Multi CAS
No
Molecular Formula
C32H19Br
Molecular Weight
483.400000
Exact Mass
482.067010
SMILES
C1=CC=C(C=C1)C2=C3C4=C5C(=C(C=C4)Br)C=CC=C5C3=C(C6=CC=CC=C62)C7=CC=CC=C7
InChI
InChI=1S/C32H19Br/c33-27-19-18-26-30-24(27)16-9-17-25(30)31-28(20-10-3-1-4-11-20)22-14-7-8-15-23(22)29(32(26)31)21-12-5-2-6-13-21/h1-19H
InChIKey
MBWSEPXTVAGLJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
32
Rotatable bonds
2
Molar refractivity
144.46
TPSA
0.0000
LogP / Solubility
WLOGP
9.74
MLOGP
8.6
XLogP3
9.7
Consensus LogP
9.35
Log S (ESOL)
-9.56
Class (ESOL)
Insoluble
Log S (Ali)
-10.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.12
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)
1.24
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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