![CAS 53034-15-4 2-BROMOBENZO[C]PHENANTHRENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5129331.gif)
CAS RN: 53034-15-4
2-BROMOBENZO[C]PHENANTHRENE
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.20250405 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53034-15-4
- Purity/Analytical Methods: >99.0%
53034-15-4 / 2-bromobenzo[c]phenanthrene
Basic Information
CAS
53034-15-4
Multi CAS
No
Molecular Formula
C18H11BR
Molecular Weight
307.200000
Exact Mass
306.004410
InChI
InChI=1S/C18H11Br/c19-15-10-9-13-6-8-14-7-5-12-3-1-2-4-16(12)18(14)17(13)11-15/h1-11H
InChIKey
QGFYLLMPQWHQLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Molar refractivity
86.66
TPSA
0.0000
LogP / Solubility
WLOGP
5.91
MLOGP
5.21
XLogP3
6.4
Consensus LogP
5.84
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
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
No
Log Kp (skin permeation)
-0.4
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
2
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