CAS RN: 1325195-27-4
1-Dibenzofuranamine, N-phenyl-
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.20250712 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1325195-27-4
- Purity/Analytical Methods: >99.0%
1325195-27-4 / N-phenyldibenzofuran-1-amine
Basic Information
CAS
1325195-27-4
Multi CAS
No
Molecular Formula
C18H13NO
Molecular Weight
259.300000
Exact Mass
259.099714
SMILES
C1=CC=C(C=C1)NC2=C3C4=CC=CC=C4OC3=CC=C2
InChI
InChI=1S/C18H13NO/c1-2-7-13(8-3-1)19-15-10-6-12-17-18(15)14-9-4-5-11-16(14)20-17/h1-12,19H
InChIKey
ACBWMRLJWKZADU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.44
TPSA
25.17
LogP / Solubility
WLOGP
5.33
MLOGP
4.7
XLogP3
5.2
Consensus LogP
5.08
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
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)
-0.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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