![CAS 1210469-50-3 11-([1,1′-biphenyl]-4-yl)-5-bromo-11H-benzo[a]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1210469-50-3.gif)
CAS RN: 1210469-50-3
11-([1,1′-biphenyl]-4-yl)-5-bromo-11H-benzo[a]carbazole
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.20260521 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1210469-50-3
- Purity/Analytical Methods: >99.0%
1210469-50-3 / 5-bromo-11-(4-phenylphenyl)benzo[a]carbazole
11-([1,1'-biphenyl]-4-yl)-5-bromo-11H-benzo[a]carbazole | MFCD32173251 | 5-bromo-11-(4-phenylphenyl)benzo[a]carbazole
Basic Information
CAS
1210469-50-3
Multi CAS
Yes
Molecular Formula
C28H18BrN
Molecular Weight
448.400000
Exact Mass
447.062260
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=CC=CC=C6C(=C5)Br
InChI
InChI=1S/C28H18BrN/c29-26-18-25-23-11-6-7-13-27(23)30(28(25)24-12-5-4-10-22(24)26)21-16-14-20(15-17-21)19-8-2-1-3-9-19/h1-18H
InChIKey
KHUSBFQLGAPOSZ-UHFFFAOYSA-N
Synonyms
11-([1,1'-biphenyl]-4-yl)-5-bromo-11H-benzo[a]carbazole
MFCD32173251
5-bromo-11-(4-phenylphenyl)benzo[a]carbazole
11-([1,1-biphenyl]-4-yl)-5-bromo-11H-benzo[a]carbazole
11-{[1,1'-biphenyl]-4-yl}-5-bromo-11H-benzo[a]carbazole
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
131.42
TPSA
4.93
LogP / Solubility
WLOGP
8.37
MLOGP
7.39
XLogP3
8.6
Consensus LogP
8.12
Log S (ESOL)
-8.47
Class (ESOL)
Insoluble
Log S (Ali)
-9.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.76
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)
0.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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