![CAS 2098811-14-2 9-(4′-chloro-[1,1′-biphenyl]-2-yl)-9H-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098811-14-2.png)
CAS RN: 2098811-14-2
9-(4′-chloro-[1,1′-biphenyl]-2-yl)-9H-carbazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260121 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2098811-14-2
- Purity/Analytical Methods: >99.0%
2098811-14-2 / 9-[2-(4-chlorophenyl)phenyl]carbazole
Basic Information
CAS
2098811-14-2
Multi CAS
No
Molecular Formula
C24H16ClN
Molecular Weight
353.800000
Exact Mass
353.097127
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N3C4=CC=CC=C4C5=CC=CC=C53
InChI
InChI=1S/C24H16ClN/c25-18-15-13-17(14-16-18)19-7-1-4-10-22(19)26-23-11-5-2-8-20(23)21-9-3-6-12-24(21)26/h1-16H
InChIKey
FHMUKVVBOGEZFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
111.23
TPSA
4.93
LogP / Solubility
WLOGP
7.1
MLOGP
6.27
XLogP3
7.3
Consensus LogP
6.89
Log S (ESOL)
-7.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.1
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)
0.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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