![CAS 578027-21-1 4-(dibenzo[b,d]furan-4-yl)aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/578027-21-1.gif)
CAS RN: 578027-21-1
4-(dibenzo[b,d]furan-4-yl)aniline
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.20260518 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS578027-21-1
- Purity/Analytical Methods: >99.0%
578027-21-1 / 4-dibenzofuran-4-ylaniline
Basic Information
CAS
578027-21-1
Multi CAS
Yes
Molecular Formula
C18H13NO
Molecular Weight
259.300000
Exact Mass
259.099714
InChI
InChI=1S/C18H13NO/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h1-11H,19H2
InChIKey
JPNNLBQKGZVDPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.57
TPSA
39.16
LogP / Solubility
WLOGP
4.84
MLOGP
4.26
XLogP3
4.6
Consensus LogP
4.57
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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