CAS RN: 96948-51-5
R-N, N’-dibenzyl-1,1′-binaphthyldiamine
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.20251102 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS96948-51-5
- Purity/Analytical Methods: >99.0%
96948-51-5 / N-benzyl-1-[2-(benzylamino)naphthalen-1-yl]naphthalen-2-amine
Basic Information
CAS
96948-51-5
Multi CAS
No
Molecular Formula
C34H28N2
Molecular Weight
464.600000
Exact Mass
464.225249
InChI
InChI=1S/C34H28N2/c1-3-11-25(12-4-1)23-35-31-21-19-27-15-7-9-17-29(27)33(31)34-30-18-10-8-16-28(30)20-22-32(34)36-24-26-13-5-2-6-14-26/h1-22,35-36H,23-24H2
InChIKey
UDBGHMXATFEWBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
154.43
TPSA
24.06
LogP / Solubility
WLOGP
8.88
MLOGP
7.85
XLogP3
9
Consensus LogP
8.58
Log S (ESOL)
-8.51
Class (ESOL)
Insoluble
Log S (Ali)
-9.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.89
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)
0.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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