![CAS 2757762-56-2 Benzenamine, 3-(1-naphthalenyl)-N-[4-(1-naphthalenyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757762-56-2.gif)
CAS RN: 2757762-56-2
Benzenamine, 3-(1-naphthalenyl)-N-[4-(1-naphthalenyl)phenyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2757762-56-2
- Purity/Analytical Methods: >99.0%
2757762-56-2 / 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
Basic Information
CAS
2757762-56-2
Multi CAS
No
Molecular Formula
C32H23N
Molecular Weight
421.500000
Exact Mass
421.183050
InChI
InChI=1S/C32H23N/c1-3-14-29-23(8-1)10-6-16-31(29)25-18-20-27(21-19-25)33-28-13-5-12-26(22-28)32-17-7-11-24-9-2-4-15-30(24)32/h1-22,33H
InChIKey
VBLSWVIWEGRIKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
32
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
142.05
TPSA
12.03
LogP / Solubility
WLOGP
9.07
MLOGP
8.01
XLogP3
9.2
Consensus LogP
8.76
Log S (ESOL)
-8.62
Class (ESOL)
Insoluble
Log S (Ali)
-9.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.41
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)
1.15
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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