![CAS 2757762-55-1 [1,1′-Biphenyl]-4-amine, N-[1,1′-biphenyl]-4-yl-3′-(1-naphthalenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757762-55-1.gif)
CAS RN: 2757762-55-1
[1,1′-Biphenyl]-4-amine, N-[1,1′-biphenyl]-4-yl-3′-(1-naphthalenyl)-
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.20250713 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2757762-55-1
- Purity/Analytical Methods: >99.0%
2757762-55-1 / N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
Basic Information
CAS
2757762-55-1
Multi CAS
No
Molecular Formula
C34H25N
Molecular Weight
447.600000
Exact Mass
447.198700
InChI
InChI=1S/C34H25N/c1-2-8-25(9-3-1)26-16-20-31(21-17-26)35-32-22-18-27(19-23-32)29-12-6-13-30(24-29)34-15-7-11-28-10-4-5-14-33(28)34/h1-24,35H
InChIKey
KMPYTCCFXDQVIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
34
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
149.98
TPSA
12.03
LogP / Solubility
WLOGP
9.58
MLOGP
8.46
XLogP3
9.6
Consensus LogP
9.21
Log S (ESOL)
-9.04
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.12
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)
1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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