CAS RN: 2174904-30-2
4-(3-Dibenzofuranyl)benzenamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250122 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2174904-30-2
- Purity/Analytical Methods: >99.0%
2174904-30-2 / 4-dibenzofuran-3-ylaniline
Basic Information
CAS
2174904-30-2
Multi CAS
No
Molecular Formula
C18H13NO
Molecular Weight
259.300000
Exact Mass
259.099714
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C4=CC=C(C=C4)N
InChI
InChI=1S/C18H13NO/c19-14-8-5-12(6-9-14)13-7-10-16-15-3-1-2-4-17(15)20-18(16)11-13/h1-11H,19H2
InChIKey
LBFSAMGRDQEQPQ-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
5.1
Consensus LogP
4.73
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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