![CAS 2061993-65-3 3′-(naphthalen-1-yl)-N-(4-(naphthalen-1-yl)phenyl)-[1,1′-biphenyl]-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2061993-65-3.png)
CAS RN: 2061993-65-3
3′-(naphthalen-1-yl)-N-(4-(naphthalen-1-yl)phenyl)-[1,1′-biphenyl]-4-amine
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.20250212 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2061993-65-3
- Purity/Analytical Methods: >99.0%
2061993-65-3 / 4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
Basic Information
CAS
2061993-65-3
Multi CAS
No
Molecular Formula
C38H27N
Molecular Weight
497.600000
Exact Mass
497.214350
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)NC4=CC=C(C=C4)C5=CC(=CC=C5)C6=CC=CC7=CC=CC=C76
InChI
InChI=1S/C38H27N/c1-3-14-35-28(8-1)10-6-16-37(35)30-20-24-34(25-21-30)39-33-22-18-27(19-23-33)31-12-5-13-32(26-31)38-17-7-11-29-9-2-4-15-36(29)38/h1-26,39H
InChIKey
BZJTUVUEBIZTHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
38
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
167.49
TPSA
12.03
LogP / Solubility
WLOGP
10.74
MLOGP
9.48
XLogP3
10.8
Consensus LogP
10.34
Log S (ESOL)
-10.08
Class (ESOL)
Insoluble
Log S (Ali)
-11.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.41
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)
1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
![CAS 2061993-66-4 Naphthalene, 1-(4′-chloro[1,1′-biphenyl]-3-yl)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Naphthalene, 1-(4′-chloro[1,1′-biphenyl]-3-yl)-
- CAS RN: 2061993-66-4
- Product Code: starshine_CAS2061993-66-4
- Purity/Analytical method: >99.0%
-
(S)-8-Chlorochroman-4-amine hydrochloride
- CAS RN: 2061996-42-5
- Product Code: starshine_CAS2061996-42-5
- Purity/Analytical method: >99.0%
-
-
(S)-2-Amino-2-(3-(methoxymethyl)phenyl)ethanol hydrochloride
- CAS RN: 2061996-45-8
- Product Code: starshine_CAS2061996-45-8
- Purity/Analytical method: >99.0%
-
(S)-7-Fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
- CAS RN: 2061996-47-0
- Product Code: SSC-097209
-
[(1S)-1-(4-CHLOROPHENYL)ETHYL]METHYLAMINE HYDROCHLORIDE
- CAS RN: 2061996-49-2
- Product Code: starshine_CAS2061996-49-2
- Purity/Analytical method: >99.0%
![CAS 2061993-66-4 Naphthalene, 1-(4′-chloro[1,1′-biphenyl]-3-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2061993-66-4.png)
![CAS 2061996-49-2 [(1S)-1-(4-CHLOROPHENYL)ETHYL]METHYLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2061996-49-2.png)