CAS RN: 186256-01-9
N,N,N’,N’-tetra-naphthalenyl-benzidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251224 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS186256-01-9
- Purity/Analytical Methods: >99.0%
186256-01-9 / N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
Basic Information
CAS
186256-01-9
Multi CAS
No
Molecular Formula
C52H36N2
Molecular Weight
688.900000
Exact Mass
688.287849
SMILES
C1=CC=C2C(=C1)C=CC=C2N(C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87)C9=CC=CC1=CC=CC=C19
InChI
InChI=1S/C52H36N2/c1-5-21-45-39(13-1)17-9-25-49(45)53(50-26-10-18-40-14-2-6-22-46(40)50)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54(51-27-11-19-41-15-3-7-23-47(41)51)52-28-12-20-42-16-4-8-24-48(42)52/h1-36H
InChIKey
CLTPAQDLCMKBIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
52
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
231.27
TPSA
6.48
LogP / Solubility
WLOGP
14.91
MLOGP
13.18
XLogP3
15
Consensus LogP
14.36
Log S (ESOL)
-13.75
Class (ESOL)
Insoluble
Log S (Ali)
-15.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.35
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)
3.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
Customers Also Viewed
-
![CAS 186267-75-4 5-Methyl-1H-benzo[d][1,3]oxazin-2(4H)-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
6-Bromo-5-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one
- CAS RN: 186267-76-5
- Product Code: SSC-086338
-
(2S)-1-(1′,2′-DIOXO-3′,3′-DIMETHYL-PENTYL)-2-PYRROLIDINE-CARBOXYLIC ACID
- CAS RN: 186268-78-0
- Product Code: starshine_CAS186268-78-0
- Purity/Analytical method: >99.0%
-
Morpholine, 2-(chloromethyl)-4-(phenylmethyl)-, (2R)-
- CAS RN: 186293-54-9
- Product Code: SSC-086361
-
-
![CAS 186267-75-4 5-Methyl-1H-benzo[d][1,3]oxazin-2(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/186267-75-4.gif)
![CAS 186267-76-5 6-Bromo-5-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/186267-76-5.gif)
