![CAS 1252914-36-5 N-([1,1′-biphenyl]-2-yl)dibenzo[b,d]furan-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1252914-36-5.gif)
CAS RN: 1252914-36-5
N-([1,1′-biphenyl]-2-yl)dibenzo[b,d]furan-4-amine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250430 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1252914-36-5
- Purity/Analytical Methods: >99.0%
1252914-36-5 / N-(2-phenylphenyl)dibenzofuran-4-amine
Basic Information
CAS
1252914-36-5
Multi CAS
No
Molecular Formula
C24H17NO
Molecular Weight
335.400000
Exact Mass
335.131014
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC=CC4=C3OC5=CC=CC=C45
InChI
InChI=1S/C24H17NO/c1-2-9-17(10-3-1)18-11-4-6-14-21(18)25-22-15-8-13-20-19-12-5-7-16-23(19)26-24(20)22/h1-16,25H
InChIKey
QKSVTAVJNXCQLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
108.88
TPSA
25.17
LogP / Solubility
WLOGP
7
MLOGP
6.17
XLogP3
6.8
Consensus LogP
6.66
Log S (ESOL)
-6.84
Class (ESOL)
Insoluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.01
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.2
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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