![CAS 1210469-44-5 11H-Benzo[a]carbazole, 11-[1,1′-biphenyl]-4-yl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1210469-44-5.gif)
CAS RN: 1210469-44-5
11H-Benzo[a]carbazole, 11-[1,1′-biphenyl]-4-yl-
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.20260318 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1210469-44-5
- Purity/Analytical Methods: >99.0%
1210469-44-5 / 11-(4-phenylphenyl)benzo[a]carbazole
11-([1,1'-biphenyl]-4-yl)-11H-benzo[a]carbazole | 11-(4-phenylphenyl)benzo[a]carbazole | 11-([1,1-biphenyl]-4-yl)-11H-benzo[a]carbazole
Basic Information
CAS
1210469-44-5
Multi CAS
No
Molecular Formula
C28H19N
Molecular Weight
369.500000
Exact Mass
369.151750
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=CC=CC=C6C=C5
InChI
InChI=1S/C28H19N/c1-2-8-20(9-3-1)21-14-17-23(18-15-21)29-27-13-7-6-12-25(27)26-19-16-22-10-4-5-11-24(22)28(26)29/h1-19H
InChIKey
PYKLNKNECPLPJG-UHFFFAOYSA-N
Synonyms
11-([1,1'-biphenyl]-4-yl)-11H-benzo[a]carbazole
11-(4-phenylphenyl)benzo[a]carbazole
11-([1,1-biphenyl]-4-yl)-11H-benzo[a]carbazole
MFCD32173252
11-{[1,1'-biphenyl]-4-yl}-11H-benzo[a]carbazole
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
123.72
TPSA
4.93
LogP / Solubility
WLOGP
7.6
MLOGP
6.71
XLogP3
7.9
Consensus LogP
7.4
Log S (ESOL)
-7.53
Class (ESOL)
Insoluble
Log S (Ali)
-8.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.61
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)
0.43
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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