![CAS 1364602-88-9 N-([1,1′-biphenyl]-4-yl)-N-(9,9-dimethyl-9H-fluoren-2-yl)-9,9′-spirobi[fluoren]-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1364602-88-9.gif)
CAS RN: 1364602-88-9
N-([1,1′-biphenyl]-4-yl)-N-(9,9-dimethyl-9H-fluoren-2-yl)-9,9′-spirobi[fluoren]-2-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.20250426 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1364602-88-9
- Purity/Analytical Methods: >99.0%
1364602-88-9 / N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
Basic Information
CAS
1364602-88-9
Multi CAS
No
Molecular Formula
C52H37N
Molecular Weight
675.900000
Exact Mass
675.292600
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91)C
InChI
InChI=1S/C52H37N/c1-51(2)45-20-10-6-16-39(45)43-30-28-37(32-49(43)51)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-44-42-19-9-13-23-48(42)52(50(44)33-38)46-21-11-7-17-40(46)41-18-8-12-22-47(41)52/h3-33H,1-2H3
InChIKey
VJPYNOCTTLZZLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
48
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
220.42
TPSA
3.24
LogP / Solubility
WLOGP
13.47
MLOGP
11.91
XLogP3
13.7
Consensus LogP
13.03
Log S (ESOL)
-12.92
Class (ESOL)
Insoluble
Log S (Ali)
-14.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.72
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9
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