![CAS 1427556-45-3 3-Dibenzofuranamine, N-[1,1′-biphenyl]-3-yl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427556-45-3.gif)
CAS RN: 1427556-45-3
3-Dibenzofuranamine, N-[1,1′-biphenyl]-3-yl-
- Product code: SSC-053981
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1427556-45-3 / N-(3-phenylphenyl)dibenzofuran-3-amine
Basic Information
CAS
1427556-45-3
Multi CAS
No
Molecular Formula
C24H17NO
Molecular Weight
335.400000
Exact Mass
335.131014
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=CC4=C(C=C3)C5=CC=CC=C5O4
InChI
InChI=1S/C24H17NO/c1-2-7-17(8-3-1)18-9-6-10-19(15-18)25-20-13-14-22-21-11-4-5-12-23(21)26-24(22)16-20/h1-16,25H
InChIKey
ZMVCBGDQPGHDFF-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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