CAS RN: 1853122-02-7
GM17001
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.20250506 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1853122-02-7
- Purity/Analytical Methods: >99.0%
1853122-02-7 / 4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
Basic Information
CAS
1853122-02-7
Multi CAS
No
Molecular Formula
C37H27N
Molecular Weight
485.600000
Exact Mass
485.214350
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4(C5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC=C7
InChI
InChI=1S/C37H27N/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)38-32-25-21-30(22-26-32)37(29-13-5-2-6-14-29)35-17-9-7-15-33(35)34-16-8-10-18-36(34)37/h1-26,38H
InChIKey
NEUDKMQWMOVRAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
36
Fraction Csp3
0.03
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
158.91
TPSA
12.03
LogP / Solubility
WLOGP
9.46
MLOGP
8.36
XLogP3
9.8
Consensus LogP
9.21
Log S (ESOL)
-9.18
Class (ESOL)
Insoluble
Log S (Ali)
-10.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.27
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
Yes
Log Kp (skin permeation)
1.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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