![CAS 1579281-06-3 9,9′-Spirobi[9H-fluoren]-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1579281-06-3.gif)
CAS RN: 1579281-06-3
9,9′-Spirobi[9H-fluoren]-4-amine
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.20250804 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1579281-06-3
- Purity/Analytical Methods: >99.0%
1579281-06-3 / 9,9'-spirobi[fluorene]-4-amine
Basic Information
CAS
1579281-06-3
Multi CAS
No
Molecular Formula
C25H17N
Molecular Weight
331.400000
Exact Mass
331.136100
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C6=CC=CC=C46)C(=CC=C5)N
InChI
InChI=1S/C25H17N/c26-23-15-7-14-22-24(23)18-10-3-6-13-21(18)25(22)19-11-4-1-8-16(19)17-9-2-5-12-20(17)25/h1-15H,26H2
InChIKey
VMAZRNMVXRAEGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
1
H-bond donors
1
Molar refractivity
107.15
TPSA
26.02
LogP / Solubility
WLOGP
5.61
MLOGP
4.95
XLogP3
5.7
Consensus LogP
5.42
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.47
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)
-0.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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